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Information card for entry 8104666
Preview
| Coordinates | 8104666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 F N O2 |
|---|---|
| Calculated formula | C19 H16 F N O2 |
| SMILES | Fc1ccc(n2cc(C(=O)OCC)c(c2)c2ccccc2)cc1 |
| Title of publication | Crystal structure of ethyl 1-(4-fluorophenyl)-4-phenyl-1H-pyrrole-3-carboxylate, C19H16FNO2 |
| Authors of publication | Song, Hong-Yu; Liu, Shan; Zhang, Bo-Nan; Zhong, Qi-Di; Qi, Ya-Juan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1063 - 1064 |
| a | 10.805 ± 0.007 Å |
| b | 20.984 ± 0.013 Å |
| c | 7.034 ± 0.004 Å |
| α | 90° |
| β | 93.386 ± 0.013° |
| γ | 90° |
| Cell volume | 1592 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1612 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273494 (current) | 2022-03-07 | cif/ Adding structures of 8104666 via cif-deposit CGI script. |
8104666.cif |
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Users of the data should acknowledge the original authors of the
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