Information card for entry 2216281

Structure parameters

• Chemical name: Ethyl 2-[2,2-bis(ethoxycarbonyl)ethyl]-1-(phenylsulfonyl)indole-3-carboxylate
• Formula: C25 H27 N O8 S
• Calculated formula: C25 H27 N O8 S
• SMILES: CCOC(=O)C(C(=O)OCC)Cc1c(C(=O)OCC)c2c(n1S(=O)(=O)c1ccccc1)cccc2
• Title of publication: Ethyl 2-[2,2-bis(ethoxycarbonyl)ethyl]-1-(phenylsulfonyl)indole-3-carboxylate
• Authors of publication: G. Chakkaravarthi; V. Dhayalan; A. K. Mohanakrishnan; V. Manivannan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4724 - o4724
• a: 7.9066 ± 0.0002 Å
• b: 27.9935 ± 0.0006 Å
• c: 11.8849 ± 0.0002 Å
• α: 90°
• β: 100.832 ± 0.001°
• γ: 90°
• Cell volume: 2583.66 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes