Information card for entry 2311553

Structure parameters

• Chemical name: Diethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)
• Formula: C29 H25 N3 O6
• Calculated formula: C29 H25 N3 O6
• SMILES: N(=O)(=O)c1ccc(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)cc1
• Title of publication: Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1<i>H</i>-indole-2-carboxyl-ate).
• Authors of publication: Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Chen, Yu-Liang; Hu, Ya-Di
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1956 - 1958
• a: 8.804 ± 0.0018 Å
• b: 15.804 ± 0.003 Å
• c: 18.266 ± 0.004 Å
• α: 90°
• β: 98.78 ± 0.03°
• γ: 90°
• Cell volume: 2511.7 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1643
• 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