Information card for entry 7128535

Structure parameters

• Formula: C30 H18 Br2 N2
• Calculated formula: C30 H18 Br2 N2
• Title of publication: Tunable microstructures of ultralong organic phosphorescence materials.
• Authors of publication: Liu, Kun; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Yang, Yijun; Shen, Kang; Zhi, Jiahuan; Wang, He; Zhang, Renxiang; Wang, Jiamin; Ma, Huili; Shi, Huifang; Yao, Wei; An, Zhongfu; Huang, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 59
• Pages of publication: 7276 - 7279
• a: 8.71 ± 0.003 Å
• b: 17.149 ± 0.005 Å
• c: 8.657 ± 0.003 Å
• α: 90°
• β: 116.339 ± 0.005°
• γ: 90°
• Cell volume: 1158.8 ± 0.7 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No