Information card for entry 4035581

Structure parameters

• Formula: C18 H20 Br N O2 S
• Calculated formula: C18 H20 Br N O2 S
• SMILES: Brc1cc2c3c(n(S(=O)(=O)C)c2cc1)cc(cc3C)C(C)(C)C
• Title of publication: Oxidative N-Arylation for Carbazole Synthesis by C-C Bond Activation.
• Authors of publication: Maiti, Saikat; Bose, Anima; Mal, Prasenjit
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 8127 - 8138
• a: 16.2482 ± 0.0003 Å
• b: 8.3987 ± 0.0002 Å
• c: 25.8 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3520.76 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No