Information card for entry 7123631

Structure parameters

• Formula: C83 H134 O3
• Calculated formula: C83 H134 O3
• Title of publication: Anisotropic elasticity and plasticity of organic crystal
• Authors of publication: Wang, Jian-Rong; Li, Meiqi; Yu, Qihui; Zhang, Zaiyong; Zhu, Bingqing; Qin, Wenming; Mei, Xuefeng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.4109 ± 0.0003 Å
• b: 33.5378 ± 0.0014 Å
• c: 35.2624 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7581.7 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No