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Information card for entry 8107406
Preview
| Coordinates | 8107406.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 Cl F3 N3 O2 |
|---|---|
| Calculated formula | C22 H19 Cl F3 N3 O2 |
| Title of publication | Crystal structure of 9-(2-chloroethoxy)-4-(4-methoxy-3-(trifluoromethyl)phenyl)- 5,6-dihydrobenzo[h]quinazolin-2-amine, C22H19ClF3N3O2 |
| Authors of publication | Li, Rong-Kai; Wang, Chun-Hua; Hou, Gui-Ge; Li, Cheng-Bo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 243 - 245 |
| a | 9.8138 ± 0.0007 Å |
| b | 10.9739 ± 0.0007 Å |
| c | 11.6878 ± 0.0009 Å |
| α | 62.633 ± 0.007° |
| β | 67.095 ± 0.007° |
| γ | 68.817 ± 0.006° |
| Cell volume | 1003.78 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284514 (current) | 2023-06-21 | cif/ Adding structures of 8107406 via cif-deposit CGI script. |
8107406.cif |
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Users of the data should acknowledge the original authors of the
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