Information card for entry 7057617

Structure parameters

• Common name: BPhCz
• Chemical name: 9, 9'-diphenyl-9H, 9'H-3, 3'-bicarbazole
• Formula: C36 H24 N2
• Calculated formula: C36 H24 N2
• Title of publication: Eaton's reagent assisted aromatic C‒C coupling of carbazoles for optoelectronic applications
• Authors of publication: Yuan, Jie; Jin, Lu; Chen, Runfeng; Tang, Xingxing; Xie, Xiang; Tang, Yuting; Huang, Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 14704
• a: 9.4067 ± 0.0011 Å
• b: 9.615 ± 0.0011 Å
• c: 14.1821 ± 0.0016 Å
• α: 90°
• β: 104.252 ± 0.003°
• γ: 90°
• Cell volume: 1243.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No