Information card for entry 1564397

Structure parameters

• Formula: C36 H24 Br2
• Calculated formula: C36 H24 Br2
• Title of publication: Manifold dynamic non-covalent interactions for steering molecular assembly and cyclization
• Authors of publication: Song, Shaotang; Wang, Lulu; Su, Jie; Xu, Zhen; Hsu, Chia-Hsiu; Hua, Chenqiang; Lyu, Pin; Li, Jing; Peng, Xinnan; Kojima, Takahiro; Nobusue, Shunpei; Telychko, Mykola; Zheng, Yi; Chuang, Feng-Chuan; Sakaguchi, Hiroshi; Wong, Ming Wah; Lu, Jiong
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 18.1145 ± 0.0013 Å
• b: 6.8754 ± 0.0005 Å
• c: 23.099 ± 0.0017 Å
• α: 90°
• β: 112.806 ± 0.002°
• γ: 90°
• Cell volume: 2651.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No