Information card for entry 4037334

Structure parameters

• Formula: C24 H20 N2 O2 S
• Calculated formula: C24 H20 N2 O2 S
• SMILES: S(=O)(=O)(n1c2c(c3c1ccc(c3)C)c(N)cc1c2cccc1)c1ccc(cc1)C
• Title of publication: One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.
• Authors of publication: Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 22
• Pages of publication: 10987 - 10999
• a: 8.462 ± 0.002 Å
• b: 16.12 ± 0.005 Å
• c: 14.655 ± 0.004 Å
• α: 90°
• β: 90.551 ± 0.015°
• γ: 90°
• Cell volume: 1999 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No