Information card for entry 2234390

Structure parameters

• Chemical name: 2,7-Bis(2-nitrophenyl)-9-octyl-9<i>H</i>-carbazole
• Formula: C32 H31 N3 O4
• Calculated formula: C32 H31 N3 O4
• SMILES: c1c(ccc2c3ccc(cc3n(c12)CCCCCCCC)c1c(cccc1)N(=O)=O)c1c(cccc1)N(=O)=O
• Title of publication: 2,7-Bis(2-nitrophenyl)-9-octyl-9<i>H</i>-carbazole
• Authors of publication: Wrobel, Norma; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1249
• a: 8.722 ± 0.002 Å
• b: 7.987 ± 0.002 Å
• c: 39.508 ± 0.011 Å
• α: 90°
• β: 95.044 ± 0.006°
• γ: 90°
• Cell volume: 2741.6 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1786
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes