Information card for entry 2311511

Structure parameters

• Chemical name: Diethyl 3,3'-[(2,4-dichlorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)
• Formula: C29 H24 Cl2 N2 O4
• Calculated formula: C29 H24 Cl2 N2 O4
• SMILES: Clc1ccc(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)c(Cl)c1
• Title of publication: Crystal structure of diethyl 3,3'-[(2,4-di-chloro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate).
• Authors of publication: Li, Yu-Long; Sun, Hong-Shun; Jiang, Hong; Chen, Yu-Liang; Chen, Yang-Feng
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1817 - 1819
• a: 9.776 ± 0.002 Å
• b: 15.939 ± 0.003 Å
• c: 17.581 ± 0.004 Å
• α: 90°
• β: 101.94 ± 0.03°
• γ: 90°
• Cell volume: 2680.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1192
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1918
• 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: No