Information card for entry 4516542

Structure parameters

• Formula: C30 H38 Br1.5 N O4
• Calculated formula: C30 H38 Br1.5 N O4
• 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: 15.3023 ± 0.0019 Å
• b: 35.513 ± 0.004 Å
• c: 12.0386 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6542.1 ± 1.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections: 0.204
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9539
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No