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Information card for entry 8106885
Preview
| Coordinates | 8106885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H25 N O4 |
|---|---|
| Calculated formula | C20 H25 N O4 |
| Title of publication | Crystal structure of triethylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate, C20H25NO4 |
| Authors of publication | Hou, Yimin; Zeng, Huahui; Wu, Xiangxiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 395 - 397 |
| a | 8.3727 ± 0.0006 Å |
| b | 9.7374 ± 0.0007 Å |
| c | 12.3559 ± 0.0008 Å |
| α | 80.826 ± 0.004° |
| β | 73.432 ± 0.004° |
| γ | 75.425 ± 0.004° |
| Cell volume | 930.28 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281742 (current) | 2023-03-08 | cif/ Adding structures of 8106885 via cif-deposit CGI script. |
8106885.cif |
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Users of the data should acknowledge the original authors of the
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