Information card for entry 1560078

Structure parameters

• Chemical name: 9-benzoylcarbazole
• Formula: C19 H13 N O
• Calculated formula: C19 H13 N O
• SMILES: n1(c2ccccc2c2ccccc12)C(=O)c1ccccc1
• Title of publication: Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime
• Authors of publication: Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3580 - 3586
• a: 17.214 ± 0.002 Å
• b: 14.4042 ± 0.0016 Å
• c: 5.5668 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1380.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.085
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections: 0.972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No