Information card for entry 2238685

Structure parameters

• Chemical name: Dimethyl 3,3'-(phenylmethylene)bis(1<i>H</i>-indole-2-carboxylate)
• Formula: C27 H22 N2 O4
• Calculated formula: C27 H22 N2 O4
• SMILES: O(C(=O)c1[nH]c2c(c1C(c1c3ccccc3[nH]c1C(=O)OC)c1ccccc1)cccc2)C
• Title of publication: Dimethyl 3,3'-(phenylmethylene)bis(1<i>H</i>-indole-2-carboxylate)
• Authors of publication: Sun, Hong-Shun; Li, Yu-Long; Xu, Ning; Xu, Hong; Zhang, Ji-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1516
• a: 13.604 ± 0.003 Å
• b: 15.56 ± 0.003 Å
• c: 11.274 ± 0.002 Å
• α: 90°
• β: 112.66 ± 0.03°
• γ: 90°
• Cell volume: 2202.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1213
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No