Information card for entry 2108762

Structure parameters

• Common name: myo-inositol-2,3-D-camphor ketal
• Formula: C16 H26 O6
• Calculated formula: C16 H26 O6
• Title of publication: The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal
• Authors of publication: Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• a: 12.5887 ± 0.0007 Å
• b: 6.9 ± 0.0002 Å
• c: 18.2523 ± 0.0007 Å
• α: 90°
• β: 107.227 ± 0.005°
• γ: 90°
• Cell volume: 1514.31 ± 0.12 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for significantly intense reflections: 2.56
• Goodness-of-fit parameter for all reflections included in the refinement: 2.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No