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Information card for entry 7241320
Preview
| Coordinates | 7241320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H22 N2 O3 |
|---|---|
| Calculated formula | C31 H22 N2 O3 |
| SMILES | C1(c2ccccc2)(c2cc(c(c3ccccc3)o2)C(=O)c2ccccc2)NC(=O)c2ccccc2N1 |
| Title of publication | Gold(iii) promoted formation of dihydroquinazolinones: double X–H activation by gold |
| Authors of publication | Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 59 |
| Pages of publication | 35681 - 35691 |
| a | 8.2197 ± 0.0002 Å |
| b | 10.4608 ± 0.0002 Å |
| c | 14.4752 ± 0.0003 Å |
| α | 77.0948 ± 0.0008° |
| β | 79.6924 ± 0.0008° |
| γ | 81.5655 ± 0.0009° |
| Cell volume | 1186.21 ± 0.04 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.1111 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241320.cif |
| 256823 | 2020-09-29 | cif/ Adding structures of 7241320, 7241321 via cif-deposit CGI script. |
7241320.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.