Information card for entry 7123312

Structure parameters

• Formula: C96 H96
• Calculated formula: C96 H96
• Title of publication: Peri-acenoacenes
• Authors of publication: Gu, Yanwei; Tullimi, Yadagiri Gopalakrishna; Feng, Jiaqi; Phan, Hoa; Zeng, Wangdong; Wu, Jishan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.8073 ± 0.0009 Å
• b: 15.3067 ± 0.0011 Å
• c: 17.2865 ± 0.0012 Å
• α: 90°
• β: 97.551 ± 0.004°
• γ: 90°
• Cell volume: 3621.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.1149
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2383
• Weighted residual factors for all reflections included in the refinement: 0.2693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No