Information card for entry 4516546

Structure parameters

• Formula: C64 H97 N3 O8
• Calculated formula: C64 H97 N3 O8
• Title of publication: Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene
• Authors of publication: White, Nicholas G.; MacLachlan, Mark J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5629
• a: 9.696 ± 0.002 Å
• b: 31.604 ± 0.008 Å
• c: 9.801 ± 0.002 Å
• α: 90°
• β: 101.57 ± 0.008°
• γ: 90°
• Cell volume: 2942.3 ± 1.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0285
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No