Information card for entry 2212155

Structure parameters

• Chemical name: 2,3-Bis(dibromomethyl)-1-(phenylsulfonyl)-1H-indole
• Formula: C16 H11 Br4 N O2 S
• Calculated formula: C16 H11 Br4 N O2 S
• SMILES: BrC(Br)c1n(S(=O)(=O)c2ccccc2)c2c(c1C(Br)Br)cccc2
• Title of publication: 2,3-Bis(dibromomethyl)-1-(phenylsulfonyl)-1<i>H</i>-indole
• Authors of publication: Rinderspacher, Alison; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o666 - o668
• a: 9.5701 ± 0.0003 Å
• b: 17.3004 ± 0.0006 Å
• c: 10.9621 ± 0.0004 Å
• α: 90°
• β: 91.5878 ± 0.0015°
• γ: 90°
• Cell volume: 1814.26 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes