Information card for entry 8106304

Structure parameters

• Common name: 2,12-dibromo-5,15-dihexyl-5,15-dihydrobenzo [1,2-b:5,6-c']dicarbazole
• Formula: C38 H38 Br2 N2
• Calculated formula: C38 H38 Br2 N2
• Title of publication: Crystal structure of 2,12-dibromo-5,15-dihexyl-5,15-dihydrobenzo [1,2-b:5,6-c′]dicarbazole, C38H38Br2N2
• Authors of publication: Feng, Ying; Guo, Wei; Liu, Zhi; Luo, Xinyu; Zhang, Dingchao; Li, Li; Hu, Zhenhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 809 - 811
• a: 8.2069 ± 0.0011 Å
• b: 11.9435 ± 0.0015 Å
• c: 16.817 ± 0.002 Å
• α: 90.119 ± 0.001°
• β: 97.992 ± 0.001°
• γ: 106.995 ± 0.001°
• Cell volume: 1559.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No