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Information card for entry 2311511
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Coordinates | 2311511.cif |
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Original IUCr paper | HTML |
Chemical name | Diethyl 3,3'-[(2,4-dichlorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate) |
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Formula | C29 H24 Cl2 N2 O4 |
Calculated formula | C29 H24 Cl2 N2 O4 |
SMILES | Clc1ccc(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)c(Cl)c1 |
Title of publication | Crystal structure of diethyl 3,3'-[(2,4-di-chloro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate). |
Authors of publication | Li, Yu-Long; Sun, Hong-Shun; Jiang, Hong; Chen, Yu-Liang; Chen, Yang-Feng |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2017 |
Journal volume | 73 |
Journal issue | Pt 12 |
Pages of publication | 1817 - 1819 |
a | 9.776 ± 0.002 Å |
b | 15.939 ± 0.003 Å |
c | 17.581 ± 0.004 Å |
α | 90° |
β | 101.94 ± 0.03° |
γ | 90° |
Cell volume | 2680.2 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1192 |
Residual factor for significantly intense reflections | 0.0666 |
Weighted residual factors for significantly intense reflections | 0.1653 |
Weighted residual factors for all reflections included in the refinement | 0.1918 |
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 |
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