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Information card for entry 7238990
Preview
| Coordinates | 7238990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 O4 |
|---|---|
| Calculated formula | C16 H14 O4 |
| Title of publication | Kinetic and thermodynamic study of 2′-hydroxy-8-methoxyflavylium. Reaction network interconverting flavylium cation and flavanone |
| Authors of publication | Petrov, Vesselin; Diniz, Ana Marta; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 27 |
| Pages of publication | 10786 |
| a | 7.119 ± 0.0005 Å |
| b | 7.462 ± 0.0005 Å |
| c | 12.573 ± 0.0009 Å |
| α | 76.093 ± 0.003° |
| β | 85.589 ± 0.003° |
| γ | 73.234 ± 0.003° |
| Cell volume | 620.74 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244499 (current) | 2019-11-28 | cif/ Adding structures of 7238990 via cif-deposit CGI script. |
7238990.cif |
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Users of the data should acknowledge the original authors of the
structural data.