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Information card for entry 7239018
Preview
| Coordinates | 7239018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H26 N2 O6 |
|---|---|
| Calculated formula | C27 H26 N2 O6 |
| Title of publication | Copper-induced fluorescence enhancement and particle-size decrease of a C-6 unsubstituted tetrahydropyrimidine racemate |
| Authors of publication | Huang, Lan; Su, Jingru; Zhong, Desheng; Wang, Haibo; Liu, Ruiyuan; Yu, Le; Zhu, Qiuhua; Liu, Shuwen |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 32 |
| Pages of publication | 13286 |
| a | 21.75 ± 0.006 Å |
| b | 9.476 ± 0.003 Å |
| c | 24.315 ± 0.007 Å |
| α | 90° |
| β | 101.661 ± 0.004° |
| γ | 90° |
| Cell volume | 4908 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1063 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7239018.cif |
| 244509 | 2019-11-28 | cif/ Adding structures of 7239018 via cif-deposit CGI script. |
7239018.cif |
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Users of the data should acknowledge the original authors of the
structural data.