Information card for entry 4027620

Structure parameters

• Formula: C30 H31 N3 O4
• Calculated formula: C30 H31 N3 O4
• Title of publication: Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives
• Authors of publication: Peng-Fei Li; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9250 - 9259
• a: 12.972 ± 0.003 Å
• b: 23.832 ± 0.005 Å
• c: 9.0202 ± 0.0018 Å
• α: 90°
• β: 109.28 ± 0.03°
• γ: 90°
• Cell volume: 2632.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1991
• Residual factor for significantly intense reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No