Information card for entry 2239411

Structure parameters

• Chemical name: Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
• Formula: C28 H24 N2 O7 S
• Calculated formula: C28 H24 N2 O7 S
• SMILES: c12ccccc1c1c(c(c(cc1n2S(=O)(=O)c1ccccc1)c1cc(c(cc1N(=O)=O)OC)OC)C)OC
• Title of publication: 2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole
• Authors of publication: Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o336 - o337
• a: 8.4543 ± 0.0003 Å
• b: 13.6605 ± 0.0005 Å
• c: 21.6359 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.73 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes