Information card for entry 2242689

Structure parameters

• Chemical name: 5,15-Dihexyl-5,15-dihydrobenzo[2,1-<i>b</i>:4,3-<i>c</i>']dicarbazole hexane 0.375-solvate
• Formula: C40.25 H45.26 N2
• Calculated formula: C40.253 H45.257 N2
• Title of publication: Crystal structure of 5,15-dihexyl-5,15-dihydrobenzo[2,1-<i>b</i>:4,3-<i>c</i>']dicarbazole hexane 0.375-solvate
• Authors of publication: Zhang, Dingchao; Shi, Longqiang; Liu, Zhi; Li, Li; Hu, Zhenhao; Cui, Deliang; Yang, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1605 - 1608
• a: 28.446 ± 0.003 Å
• b: 8.2572 ± 0.0008 Å
• c: 32.262 ± 0.003 Å
• α: 90°
• β: 120.602 ± 0.001°
• γ: 90°
• Cell volume: 6522.4 ± 1.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes