Information card for entry 2212255

Structure parameters

• Chemical name: 2,2'-(Oxydimethylene)bis[3-bromo-1-(phenylsulfonyl)-1H-indole]
• Formula: C30 H22 Br2 N2 O5 S2
• Calculated formula: C30 H22 Br2 N2 O5 S2
• SMILES: Brc1c2ccccc2n(c1COCc1c(Br)c2c(n1S(=O)(=O)c1ccccc1)cccc2)S(=O)(=O)c1ccccc1
• Title of publication: 2,2'-(Oxydimethylene)bis[3-bromo-1-(phenylsulfonyl)-1<i>H</i>-indole]
• Authors of publication: G. Senthil Kumar; K. Chinnakali; R. Balamurugan; A. K. Mohanakrishnan; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o689 - o691
• a: 16.0538 ± 0.0002 Å
• b: 19.2295 ± 0.0002 Å
• c: 9.0482 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2793.24 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes