Information card for entry 2205622

Structure parameters

• Chemical name: 3-Bromo-2-(2-bromo-4,5-dimethoxybenzyl)-1-phenylsulfonyl-1H-indole
• Formula: C23 H19 Br2 N O4 S
• Calculated formula: C23 H19 Br2 N O4 S
• SMILES: Brc1c(n(S(=O)(=O)c2ccccc2)c2c1cccc2)Cc1cc(OC)c(OC)cc1Br
• Title of publication: 3-Bromo-2-(2-bromo-4,5-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indole
• 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: 4
• Pages of publication: o998 - o1000
• a: 8.7855 ± 0.0007 Å
• b: 9.8033 ± 0.0007 Å
• c: 14.874 ± 0.001 Å
• α: 88.368 ± 0.001°
• β: 79.065 ± 0.001°
• γ: 64.09 ± 0.001°
• Cell volume: 1129.21 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes