Information card for entry 2229801

Structure parameters

• Chemical name: Diethyl [(3-cyano-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]phosphonate
• Formula: C20 H21 N2 O5 P S
• Calculated formula: C20 H21 N2 O5 P S
• Title of publication: Diethyl [(3-cyano-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]phosphonate
• Authors of publication: Karthikeyan, S.; Sethusankar, K.; Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o818 - o819
• a: 9.198 ± 0.005 Å
• b: 11.229 ± 0.005 Å
• c: 11.992 ± 0.005 Å
• α: 65.569 ± 0.005°
• β: 72.95 ± 0.005°
• γ: 72.204 ± 0.005°
• Cell volume: 1053.7 ± 0.9 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: 0.0523
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes