Information card for entry 2206528

Structure parameters

• Chemical name: 2,5-Dimethyl-7-phenylsulfonyl-5,6-dihydroindolo[2,3-c]benzazepin-12-one
• Formula: C24 H20 N2 O3 S
• Calculated formula: C24 H20 N2 O3 S
• SMILES: S(=O)(=O)(n1c2c(c3ccccc13)C(=O)c1c(N(C2)C)ccc(c1)C)c1ccccc1
• Title of publication: 2,5-Dimethyl-7-phenylsulfonyl-5,6-dihydroindolo[2,3-<i>c</i>]benzazepin-12-one
• Authors of publication: T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2410 - o2412
• a: 15.6032 ± 0.0007 Å
• b: 15.9227 ± 0.0007 Å
• c: 16.3694 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4066.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes