Information card for entry 1550568

Structure parameters

• Chemical name: Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)
• Formula: C29 H25 F N2 O4
• Calculated formula: C29 H25 F N2 O4
• SMILES: Fc1ccc(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)cc1
• Title of publication: Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)
• Authors of publication: Li, Yu-Long; Zhou, Jin; Zhong, Kai-Long; Shi, Xing-Hao; Zhang, Zhi-Yuan; Jiang, Hong; Sun, Hong-Shun
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: x190134
• a: 9.959 ± 0.002 Å
• b: 10.49 ± 0.002 Å
• c: 23.62 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2467.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes