Information card for entry 2206529

Structure parameters

• Chemical name: 3-Bromo-2-(4-bromo-2,5-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(Br)cc1OC
• Title of publication: 3-Bromo-2-(4-bromo-2,5-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: 8
• Pages of publication: o2455 - o2457
• a: 33.177 ± 0.002 Å
• b: 9.085 ± 0.0006 Å
• c: 16.1712 ± 0.001 Å
• α: 90°
• β: 111.802 ± 0.001°
• γ: 90°
• Cell volume: 4525.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes