Information card for entry 4513035

Structure parameters

• Formula: C48 H64 O4
• Calculated formula: C48 H64 O4
• Title of publication: Nonplanar Ladder-Type Polycyclic Conjugated Molecules: Structures and Solid-State Properties
• Authors of publication: Liu, Kuojin; Qiu, Feng; Yang, Chongqing; Tang, Ruizhi; Fu, Yubin; Han, Sheng; Zhuang, Xiaodong; Mai, Yiyong; Zhang, Fan; Feng, Xinliang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3332
• a: 21.224 ± 0.0007 Å
• b: 11.4366 ± 0.0005 Å
• c: 34.4862 ± 0.001 Å
• α: 90°
• β: 89.876 ± 0.003°
• γ: 90°
• Cell volume: 8370.8 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2313
• Residual factor for significantly intense reflections: 0.166
• Weighted residual factors for significantly intense reflections: 0.4079
• Weighted residual factors for all reflections included in the refinement: 0.477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.495
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No