Information card for entry 2311505

Structure parameters

• Chemical name: Diethyl 3,3'-[(2-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)
• Formula: C29 H25 F N2 O4
• Calculated formula: C29 H25 F N2 O4
• SMILES: Fc1c(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)cccc1
• Title of publication: Crystal structure of diethyl 3,3'-[(2-fluoro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate).
• Authors of publication: Lu, Xin-Hua; Sun, Hong-Shun; Cai, Yuan; Chen, Lu-Lu; Chen, Yang-Feng
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1790 - 1792
• a: 8.8 ± 0.0018 Å
• b: 9.661 ± 0.0019 Å
• c: 15.369 ± 0.003 Å
• α: 75.68 ± 0.03°
• β: 85.44 ± 0.03°
• γ: 83.68 ± 0.03°
• Cell volume: 1256.5 ± 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: 0.1222
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1859
• 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