Information card for entry 2237810

Structure parameters

• Chemical name: 9-[3-(Carbazol-9-yl)-5-methylphenyl]carbazole
• Formula: C31 H22 N2
• Calculated formula: C31 H22 N2
• SMILES: Cc1cc(cc(c1)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
• Title of publication: 9-[3-(Carbazol-9-yl)-5-methylphenyl]carbazole
• Authors of publication: Kim, Jae Eun; Kim, Jun Hee; Sim, Wonbo; Lee, Jai Young
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o828
• a: 9.2503 ± 0.0001 Å
• b: 29.3854 ± 0.0004 Å
• c: 16.2616 ± 0.0002 Å
• α: 90°
• β: 96.901 ± 0.001°
• γ: 90°
• Cell volume: 4388.27 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.087
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes