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Information card for entry 7121766
Preview
| Coordinates | 7121766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H20 O4 |
|---|---|
| Calculated formula | C16 H20 O4 |
| Title of publication | Enantioselective total synthesis of sagittacin E and related natural products. |
| Authors of publication | Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 48 |
| Pages of publication | 6165 - 6168 |
| a | 7.102 ± 0.003 Å |
| b | 8.451 ± 0.003 Å |
| c | 24.298 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1458.3 ± 1 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 | 0.0331 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121766.cif |
| 228353 | 2019-11-17 | cif/ Updating files of 7121764, 7121765, 7121766 Original log message: Adding full bibliography for 7121764--7121766.cif. |
7121766.cif |
| 208004 | 2018-05-29 | cif/ Adding structures of 7121764, 7121765, 7121766 via cif-deposit CGI script. |
7121766.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.