Information card for entry 7233241

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• Title of publication: Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol
• Authors of publication: Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 34
• Pages of publication: 5129
• a: 9.2808 ± 0.0005 Å
• b: 7.6511 ± 0.0003 Å
• c: 12.6946 ± 0.0006 Å
• α: 90°
• β: 108.142 ± 0.002°
• γ: 90°
• Cell volume: 856.61 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No