Information card for entry 2240110

Structure parameters

• Chemical name: 3,3'-[(3-Nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol monosolvate
• Formula: C29 H27 N3 O7
• Calculated formula: C29 H27 N3 O7
• SMILES: N(=O)(=O)c1cc(ccc1)C(c1c2ccccc2[nH]c1C(=O)OC)c1c2ccccc2[nH]c1C(=O)OC.OCC
• Title of publication: Crystal structure of dimethyl 3,3'-[(3-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol monosolvate
• Authors of publication: Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Xu, Ning; Xu, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 370 - 372
• a: 11.074 ± 0.002 Å
• b: 11.585 ± 0.002 Å
• c: 12.898 ± 0.003 Å
• α: 114.09 ± 0.03°
• β: 106.68 ± 0.03°
• γ: 99.2 ± 0.03°
• Cell volume: 1372.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes