Information card for entry 2212154

Structure parameters

• Common name: orthorhombic myo-inositol
• Chemical name: myo-inositol
• Formula: C6 H12 O6
• Calculated formula: C6 H12 O6
• SMILES: OC1C(O)C(O)C(O)C(O)C1O
• Title of publication: An orthorhombic polymorph of <i>myo</i>-inositol
• Authors of publication: Khan, Uzma; Qureshi, Rizwana A.; Saeed, Sadaf; Bond, Andrew D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o530 - o532
• a: 10.5485 ± 0.0005 Å
• b: 6.6177 ± 0.0003 Å
• c: 10.3714 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 723.99 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes