Information card for entry 2232558

Structure parameters

• Chemical name: 5-Methyl-12-phenylsulfonyl-12<i>H</i>-naphtho[1,2-<i>b</i>]carbazole
• Formula: C27 H19 N O2 S
• Calculated formula: C27 H19 N O2 S
• SMILES: c12ccccc1c1c(cc3c(c1)cc(c1c3cccc1)C)n2S(=O)(=O)c1ccccc1
• Title of publication: 5-Methyl-12-phenylsulfonyl-12<i>H</i>-naphtho[1,2-<i>b</i>]carbazole
• Authors of publication: Vasudhevan, S.; Karunakaran, R. Joel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3480
• a: 9.4527 ± 0.0003 Å
• b: 10.7457 ± 0.0003 Å
• c: 11.5791 ± 0.0003 Å
• α: 115.592 ± 0.001°
• β: 93.324 ± 0.002°
• γ: 105.206 ± 0.002°
• Cell volume: 1003.61 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes