Information card for entry 2236727

Structure parameters

• Chemical name: Diethyl 3,3'-(phenylmethylene)bis(1<i>H</i>-indole-2-carboxylate)
• Formula: C29 H26 N2 O4
• Calculated formula: C29 H26 N2 O4
• SMILES: [nH]1c2ccccc2c(c1C(=O)OCC)C(c1ccccc1)c1c2ccccc2[nH]c1C(=O)OCC
• Title of publication: Diethyl 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: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2764
• a: 8.734 ± 0.0017 Å
• b: 9.871 ± 0.002 Å
• c: 15 ± 0.003 Å
• α: 76.14 ± 0.03°
• β: 83.91 ± 0.03°
• γ: 83.09 ± 0.03°
• Cell volume: 1242.4 ± 0.5 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: 0.1013
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1444
• 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: Yes