Information card for entry 4516544

Structure parameters

• Formula: C23 H37 Br N O2
• Calculated formula: C23 H37 Br N O2
• 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: 15.71 ± 0.004 Å
• b: 8.607 ± 0.002 Å
• c: 18.326 ± 0.006 Å
• α: 90°
• β: 110.784 ± 0.005°
• γ: 90°
• Cell volume: 2316.7 ± 1.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No