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Information card for entry 1558449
Preview
| Coordinates | 1558449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22.61 H25.48 O7 |
|---|---|
| Calculated formula | C22.607 H25.476 O7 |
| Title of publication | Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora |
| Authors of publication | Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 12.3816 ± 0.0004 Å |
| b | 7.604 ± 0.0003 Å |
| c | 21.7468 ± 0.0007 Å |
| α | 90° |
| β | 101.769 ± 0.0012° |
| γ | 90° |
| Cell volume | 2004.41 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253577 (current) | 2020-07-01 | cif/ Adding structures of 1558449 via cif-deposit CGI script. |
1558449.cif |
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Users of the data should acknowledge the original authors of the
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