Information card for entry 2228981

Structure parameters

• Chemical name: Dimethyl 2-(1-benzyl-2-oxoindolin-3-ylidene)-1,3-dithiole-4,5-dicarboxylate
• Formula: C22 H17 N O5 S2
• Calculated formula: C22 H17 N O5 S2
• SMILES: c1ccccc1CN1c2ccccc2C(C1=O)=C1SC(=C(C(=O)OC)S1)C(=O)OC
• Title of publication: Dimethyl 2-(1-benzyl-2-oxoindolin-3-ylidene)-1,3-dithiole-4,5-dicarboxylate
• Authors of publication: Bazgir, Ayoob
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o482
• a: 28.923 ± 0.002 Å
• b: 9.3615 ± 0.0005 Å
• c: 15.0531 ± 0.0012 Å
• α: 90°
• β: 101.319 ± 0.006°
• γ: 90°
• Cell volume: 3996.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes