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Information card for entry 7230184
Preview
| Coordinates | 7230184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C101 H97 Cl3 N16 |
|---|---|
| Calculated formula | C101 H97 Cl3 N16 |
| Title of publication | Synthesis of an unusual quinazoline alkaloid: theoretical and experimental investigations of its structural, electronic, molecular and biological properties |
| Authors of publication | Lone, Shabir H.; Jameel, Salman; Bhat, Muzzaffar A.; Lone, Rayees A.; Butcher, Ray J.; Bhat, Khursheed A. |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 15 |
| Pages of publication | 8259 |
| a | 12.8967 ± 0.0004 Å |
| b | 13.9278 ± 0.0003 Å |
| c | 23.2246 ± 0.0007 Å |
| α | 91.563 ± 0.002° |
| β | 99.587 ± 0.003° |
| γ | 95.136 ± 0.002° |
| Cell volume | 4093.1 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.1073 |
| Residual factor for significantly intense reflections | 0.0902 |
| Weighted residual factors for significantly intense reflections | 0.265 |
| Weighted residual factors for all reflections included in the refinement | 0.2826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230184.cif |
| 206642 | 2018-02-24 | cif/ Adding structures of 7230184 via cif-deposit CGI script. |
7230184.cif |
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Users of the data should acknowledge the original authors of the
structural data.