Information card for entry 2241128

Structure parameters

• Chemical name: Dimethyl 3,3'-[(4-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)
• Formula: C27 H21 F N2 O4
• Calculated formula: C27 H21 F N2 O4
• SMILES: [nH]1c2c(c(C(c3c4ccccc4[nH]c3C(=O)OC)c3ccc(F)cc3)c1C(=O)OC)cccc2
• Title of publication: Crystal structure of dimethyl 3,3'-[(4-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)
• 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: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: 1140 - 1142
• a: 9.727 ± 0.0019 Å
• b: 10.122 ± 0.002 Å
• c: 13.441 ± 0.003 Å
• α: 68.15 ± 0.03°
• β: 73.69 ± 0.03°
• γ: 89.73 ± 0.03°
• Cell volume: 1171.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes