Information card for entry 2226186

Structure parameters

• Chemical name: Diethyl 2-{[3-(2,4,6-trimethylbenzyl)-1-phenylsulfonyl- 1<i>H</i>-indol-2-yl]methylidene}propanedioate
• Formula: C32 H33 N O6 S
• Calculated formula: C32 H33 N O6 S
• SMILES: S(=O)(=O)(n1c(c(c2ccccc12)Cc1c(cc(cc1C)C)C)C=C(C(=O)OCC)C(=O)OCC)c1ccccc1
• Title of publication: Diethyl 2-{[3-(2,4,6-trimethylbenzyl)-1-phenylsulfonyl-1<i>H</i>-indol-2-yl]methylidene}propanedioate
• Authors of publication: Saravanan, B.; Dhayalan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1509
• a: 8.5103 ± 0.0004 Å
• b: 8.954 ± 0.0004 Å
• c: 19.6546 ± 0.001 Å
• α: 78.456 ± 0.003°
• β: 87.236 ± 0.004°
• γ: 86.736 ± 0.003°
• Cell volume: 1463.99 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes