Information card for entry 8000435

Structure parameters

• Common name: 9-(4-bromobenzyl)-9H-carbazole
• Chemical name: 9-(4-bromobenzyl)-9H-carbazole
• Formula: C19 H14 Br N
• Calculated formula: C19 H14 Br N
• Title of publication: Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.
• Authors of publication: Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 4962 - 4969
• a: 5.5364 ± 0.0006 Å
• b: 13.6786 ± 0.0014 Å
• c: 19.513 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1477.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No