Information card for entry 2206656

Structure parameters

• Chemical name: 9-(4-Nitrophenyl)-9H-carbazole
• Formula: C18 H12 N2 O2
• Calculated formula: C18 H12 N2 O2
• SMILES: c12ccccc1c1ccccc1n2c1ccc(cc1)N(=O)=O
• Title of publication: 9-(4-Nitrophenyl)-9<i>H</i>-carbazole
• Authors of publication: Chen, Lian-Qing; Yang, Chu-Luo; Meng, Xiang-Gao; Qin, Jin-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3073 - o3075
• a: 8.356 ± 0.002 Å
• b: 21.62 ± 0.005 Å
• c: 8.153 ± 0.002 Å
• α: 90°
• β: 105.592 ± 0.004°
• γ: 90°
• Cell volume: 1418.7 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes