Information card for entry 1560708

Structure parameters

• Chemical name: Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate
• Formula: C28 H24 N3 O6.5
• Calculated formula: C28 H24 N3 O6.5
• SMILES: N(=O)(=O)c1ccc(C(c2c3ccccc3[nH]c2C(=O)OC)c2c3ccccc3[nH]c2C(=O)OC)cc1.OCC
• Title of publication: Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate
• Authors of publication: Li, Yu-Long; Zhou, Jin; Jiang, Hong; Sun, Hong-Shun; Li, Rui-Zhe; Liu, Sha-Li; Zhang, Xu-Dong
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 2
• Pages of publication: x210057
• a: 18.248 ± 0.004 Å
• b: 10.304 ± 0.002 Å
• c: 27.541 ± 0.006 Å
• α: 90°
• β: 101.41 ± 0.03°
• γ: 90°
• Cell volume: 5076.1 ± 1.9 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: 0.2491
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes