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Crystal structure of lactitol (4- O-β- d-galactopyranosyl- d-glucitol) dihydrate
Lactitol dihydrate, C 12H 24O 11·2H 2O, is tetragonal, space group P4 32 12 with cell dimensions a and b = 8.762(1), c = 45.500(3) Å, and V = 3493.2(3) Å 3; Z = 8, D x = 1.45 Mg.m −3, λ(Cu- K α) = 1.54056 Å, μ = 1.108 mm −1, F(000) = 1632, and T = 23°. The structure was solved by direct methods and...
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| Published in: | Carbohydrate research 1992, Vol.223, p.53-59 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c386t-6d069ec3d330f1e445ef6830048d04d7a92395f917973010ba4af4002f6588873 |
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| cites | cdi_FETCH-LOGICAL-c386t-6d069ec3d330f1e445ef6830048d04d7a92395f917973010ba4af4002f6588873 |
| container_end_page | 59 |
| container_issue | |
| container_start_page | 53 |
| container_title | Carbohydrate research |
| container_volume | 223 |
| creator | Kivikoski, Jussi Valkonen, Jussi Nurmi, Juha |
| description | Lactitol dihydrate, C
12H
24O
11·2H
2O, is tetragonal, space group
P4
32
12 with cell dimensions
a and
b = 8.762(1),
c = 45.500(3) Å, and
V = 3493.2(3) Å
3;
Z = 8,
D
x = 1.45 Mg.m
−3, λ(Cu-
K
α) = 1.54056 Å, μ = 1.108 mm
−1,
F(000) = 1632, and
T = 23°. The structure was solved by direct methods and refined by least-squares calculations to
R = 0.054 for 2037 unique observed reflections. There are three intra- and twelve inter-molecular hydrogen bonds in the structure. Bond lengths and angles accord quite well with the mean values of related structures. The galactopyranosyl ring has a chair of conformation. |
| doi_str_mv | 10.1016/0008-6215(92)80005-L |
| format | article |
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12H
24O
11·2H
2O, is tetragonal, space group
P4
32
12 with cell dimensions
a and
b = 8.762(1),
c = 45.500(3) Å, and
V = 3493.2(3) Å
3;
Z = 8,
D
x = 1.45 Mg.m
−3, λ(Cu-
K
α) = 1.54056 Å, μ = 1.108 mm
−1,
F(000) = 1632, and
T = 23°. The structure was solved by direct methods and refined by least-squares calculations to
R = 0.054 for 2037 unique observed reflections. There are three intra- and twelve inter-molecular hydrogen bonds in the structure. Bond lengths and angles accord quite well with the mean values of related structures. The galactopyranosyl ring has a chair of conformation.</description><identifier>ISSN: 0008-6215</identifier><identifier>EISSN: 1873-426X</identifier><identifier>DOI: 10.1016/0008-6215(92)80005-L</identifier><identifier>PMID: 1596933</identifier><identifier>CODEN: CRBRAT</identifier><language>eng</language><publisher>Oxford: Elsevier Ltd</publisher><subject>Carbohydrate Conformation ; Carbohydrate Sequence ; Condensed matter: structure, mechanical and thermal properties ; Exact sciences and technology ; Hydrogen Bonding ; Models, Molecular ; Molecular Sequence Data ; Physics ; Software ; Structure of solids and liquids; crystallography ; Sugar Alcohols - chemistry ; X-Ray Diffraction</subject><ispartof>Carbohydrate research, 1992, Vol.223, p.53-59</ispartof><rights>1992</rights><rights>1992 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c386t-6d069ec3d330f1e445ef6830048d04d7a92395f917973010ba4af4002f6588873</citedby><cites>FETCH-LOGICAL-c386t-6d069ec3d330f1e445ef6830048d04d7a92395f917973010ba4af4002f6588873</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/000862159280005L$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3605,4024,27923,27924,27925,46009</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=5357637$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/1596933$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Kivikoski, Jussi</creatorcontrib><creatorcontrib>Valkonen, Jussi</creatorcontrib><creatorcontrib>Nurmi, Juha</creatorcontrib><title>Crystal structure of lactitol (4- O-β- d-galactopyranosyl- d-glucitol) dihydrate</title><title>Carbohydrate research</title><addtitle>Carbohydr Res</addtitle><description>Lactitol dihydrate, C
12H
24O
11·2H
2O, is tetragonal, space group
P4
32
12 with cell dimensions
a and
b = 8.762(1),
c = 45.500(3) Å, and
V = 3493.2(3) Å
3;
Z = 8,
D
x = 1.45 Mg.m
−3, λ(Cu-
K
α) = 1.54056 Å, μ = 1.108 mm
−1,
F(000) = 1632, and
T = 23°. The structure was solved by direct methods and refined by least-squares calculations to
R = 0.054 for 2037 unique observed reflections. There are three intra- and twelve inter-molecular hydrogen bonds in the structure. Bond lengths and angles accord quite well with the mean values of related structures. The galactopyranosyl ring has a chair of conformation.</description><subject>Carbohydrate Conformation</subject><subject>Carbohydrate Sequence</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Exact sciences and technology</subject><subject>Hydrogen Bonding</subject><subject>Models, Molecular</subject><subject>Molecular Sequence Data</subject><subject>Physics</subject><subject>Software</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Sugar Alcohols - chemistry</subject><subject>X-Ray Diffraction</subject><issn>0008-6215</issn><issn>1873-426X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1992</creationdate><recordtype>article</recordtype><recordid>eNp9kM1qGzEQgEVocZ00b5DCHkqwD0ql1c9Kl0AwTRMwmEALuQlZP62C7HUkbWFfKw_SZ-qubZJbTsPMfDPMfABcYHSFEebfEEIC8hqzmaznYsgYXJ6AKRYNgbTmjx_A9BX5BE5zfhpSxBs-ARPMJJeETMHDIvW56FjlkjpTuuSq1ldRmxJKG6sZhdUK_nuBlYW_9Vhud33S2zb3cV-LnRnBeWXDn94mXdxn8NHrmN35MZ6BX7fffy7u4HL1435xs4SGCF4gt4hLZ4glBHnsKGXOc0EQosIiahstayKZl7iRDUEYrTXVniJUe86EGH48A5eHvbvUPncuF7UJ2bgY9da1XVZNLRvBGBtAegBNanNOzqtdChudeoWRGk2qUZMaNSlZq71JtRzGvhz3d-uNs29DB3VD_-uxr7PR0Q9WTMivGCOs4WQ88_qAucHF3-CSyia4rXE2JGeKsm14_47_hr2Nyw</recordid><startdate>1992</startdate><enddate>1992</enddate><creator>Kivikoski, Jussi</creator><creator>Valkonen, Jussi</creator><creator>Nurmi, Juha</creator><general>Elsevier Ltd</general><general>Elsevier Science</general><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>1992</creationdate><title>Crystal structure of lactitol (4- O-β- d-galactopyranosyl- d-glucitol) dihydrate</title><author>Kivikoski, Jussi ; Valkonen, Jussi ; Nurmi, Juha</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c386t-6d069ec3d330f1e445ef6830048d04d7a92395f917973010ba4af4002f6588873</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1992</creationdate><topic>Carbohydrate Conformation</topic><topic>Carbohydrate Sequence</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Exact sciences and technology</topic><topic>Hydrogen Bonding</topic><topic>Models, Molecular</topic><topic>Molecular Sequence Data</topic><topic>Physics</topic><topic>Software</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Sugar Alcohols - chemistry</topic><topic>X-Ray Diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kivikoski, Jussi</creatorcontrib><creatorcontrib>Valkonen, Jussi</creatorcontrib><creatorcontrib>Nurmi, Juha</creatorcontrib><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Carbohydrate research</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kivikoski, Jussi</au><au>Valkonen, Jussi</au><au>Nurmi, Juha</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystal structure of lactitol (4- O-β- d-galactopyranosyl- d-glucitol) dihydrate</atitle><jtitle>Carbohydrate research</jtitle><addtitle>Carbohydr Res</addtitle><date>1992</date><risdate>1992</risdate><volume>223</volume><spage>53</spage><epage>59</epage><pages>53-59</pages><issn>0008-6215</issn><eissn>1873-426X</eissn><coden>CRBRAT</coden><abstract>Lactitol dihydrate, C
12H
24O
11·2H
2O, is tetragonal, space group
P4
32
12 with cell dimensions
a and
b = 8.762(1),
c = 45.500(3) Å, and
V = 3493.2(3) Å
3;
Z = 8,
D
x = 1.45 Mg.m
−3, λ(Cu-
K
α) = 1.54056 Å, μ = 1.108 mm
−1,
F(000) = 1632, and
T = 23°. The structure was solved by direct methods and refined by least-squares calculations to
R = 0.054 for 2037 unique observed reflections. There are three intra- and twelve inter-molecular hydrogen bonds in the structure. Bond lengths and angles accord quite well with the mean values of related structures. The galactopyranosyl ring has a chair of conformation.</abstract><cop>Oxford</cop><pub>Elsevier Ltd</pub><pmid>1596933</pmid><doi>10.1016/0008-6215(92)80005-L</doi><tpages>7</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0008-6215 |
| ispartof | Carbohydrate research, 1992, Vol.223, p.53-59 |
| issn | 0008-6215 1873-426X |
| language | eng |
| recordid | cdi_proquest_miscellaneous_72978555 |
| source | Backfile Package - Organic Chemistry (Legacy) [YCO] |
| subjects | Carbohydrate Conformation Carbohydrate Sequence Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Hydrogen Bonding Models, Molecular Molecular Sequence Data Physics Software Structure of solids and liquids crystallography Sugar Alcohols - chemistry X-Ray Diffraction |
| title | Crystal structure of lactitol (4- O-β- d-galactopyranosyl- d-glucitol) dihydrate |
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