Information card for entry 1543055

Structure parameters

• Common name: D-(+)-chiro-inositol
• Chemical name: cis-1,2,4-trans-3,5,6-cyclohexanehexol
• Formula: C6 H12 O6
• Calculated formula: C6 H12 O6
• SMILES: C1(O)C(O)C(O)C(O)C(O)C1O
• Title of publication: On the correlation between hydrogen bonding and melting points in the inositols
• Authors of publication: Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco
• Journal of publication: IUCrJ
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 61 - 73
• a: 6.86637 ± 0.00011 Å
• b: 9.12272 ± 0.00014 Å
• c: 6.21914 ± 0.000098 Å
• α: 90°
• β: 106.596 ± 0.00059°
• γ: 90°
• Cell volume: 373.338 ± 0.01 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 21
• Hall space group symbol: P 2yb
• Goodness-of-fit parameter for all reflections: 1.377
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes