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Information card for entry 8107140
Preview
| Coordinates | 8107140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 N2 O |
|---|---|
| Calculated formula | C16 H12 N2 O |
| SMILES | O1c2c(c3n(ncc3C1)c1ccccc1)cccc2 |
| Title of publication | Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O |
| Authors of publication | Amr, Abd El-Galil E.; Hafez, Naglaa A. Abdel; Ali, Korany A.; Al-Omar, Mohamed A.; Ghabbour, Hazem A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 4 |
| Pages of publication | 1185 - 1187 |
| a | 5.4475 ± 0.0003 Å |
| b | 12.2779 ± 0.0007 Å |
| c | 18.0975 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1210.43 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283613 (current) | 2023-05-09 | cif/ Adding structures of 8107140 via cif-deposit CGI script. |
8107140.cif |
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Users of the data should acknowledge the original authors of the
structural data.