Information card for entry 2231661

Structure parameters

• Common name: 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl- 1<i>H</i>-pyrrole
• Chemical name: diethyl {[1-(benzenesulfonyl)-3,4-dibromo-5- [(diethoxyphosphoryl)methyl]-1<i>H</i>-pyrrol-2-yl]methyl}phosphonate
• Formula: C20 H29 Br2 N O8 P2 S
• Calculated formula: C20 H29 Br2 N O8 P2 S
• Title of publication: 3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1<i>H</i>-pyrrole
• Authors of publication: Karthikeyan, S.; Sethusankar, K.; Rajeswaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2212 - o2213
• a: 9.6524 ± 0.0002 Å
• b: 17.5137 ± 0.0005 Å
• c: 15.8965 ± 0.0004 Å
• α: 90°
• β: 95.506 ± 0.001°
• γ: 90°
• Cell volume: 2674.89 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes