Information card for entry 2240242

Structure parameters

• Chemical name: 9-Butyl-3-(9-butyl-9<i>H</i>-carbazol-3-yl)-9<i>H</i>-carbazole
• Formula: C32 H32 N2
• Calculated formula: C32 H32 N2
• SMILES: c12ccc(c3ccc4c(c3)c3ccccc3n4CCCC)cc1c1c(n2CCCC)cccc1
• Title of publication: Crystal structure of 9-butyl-3-(9-butyl-9<i>H</i>-carbazol-3-yl)-9<i>H</i>-carbazole
• Authors of publication: Stalindurai, K.; Ramalingan, C.; Sridhar, B.; Selvanayagam, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1283 - o1284
• a: 5.6184 ± 0.0004 Å
• b: 11.0946 ± 0.0007 Å
• c: 19.4673 ± 0.0013 Å
• α: 90°
• β: 95.982 ± 0.001°
• γ: 90°
• Cell volume: 1206.87 ± 0.14 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes