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Information card for entry 7226201
Preview
| Coordinates | 7226201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H36 O3 |
|---|---|
| Calculated formula | C32 H36 O3 |
| SMILES | COc1ccc(cc1)[C@H](c1c(ccc2c1cccc2)O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
| Title of publication | Expedient Access to Unsymmetrical Triarylmethanes through N-Heterocyclic Carbene Catalysed 1,6-Conjugate Addition of 2-Naphthols to para-Quinone Methides |
| Authors of publication | Arde, Panjab; Ramasamy, Vijaya Anand |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.9865 ± 0.001 Å |
| b | 11.6624 ± 0.001 Å |
| c | 20.9 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2677.9 ± 0.4 Å3 |
| Cell temperature | 566 ± 2 K |
| Ambient diffraction temperature | 566.3 K |
| Number of distinct elements | 3 |
| 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 | 0.1081 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.2027 |
| Weighted residual factors for all reflections included in the refinement | 0.2382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185730 (current) | 2016-08-10 | cif/ Adding structures of 7226201 via cif-deposit CGI script. |
7226201.cif |
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