Information card for entry 7233239

Structure parameters

• Formula: C26 H32 Cd N2 O7
• Calculated formula: C26 H32 Cd N2 O7
• 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: 14.5475 ± 0.0006 Å
• b: 28.4089 ± 0.0012 Å
• c: 6.1616 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2546.46 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No