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Information card for entry 7125901
Preview
| Coordinates | 7125901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H25 F3 O7 |
|---|---|
| Calculated formula | C23 H25 F3 O7 |
| Title of publication | Construction of trifluoromethylated quaternary stereocenters via p-quinone methides. |
| Authors of publication | Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 20 |
| Pages of publication | 3031 - 3034 |
| a | 8.6848 ± 0.0003 Å |
| b | 9.8256 ± 0.0003 Å |
| c | 13.1255 ± 0.0005 Å |
| α | 84.786 ± 0.003° |
| β | 88.888 ± 0.003° |
| γ | 89.989 ± 0.003° |
| Cell volume | 1115.2 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| 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. |
7125901.cif |
| 250191 | 2020-04-05 | cif/ Updating files of 7125900, 7125901 Original log message: Adding full bibliography for 7125900--7125901.cif. |
7125901.cif |
| 247511 | 2020-02-04 | cif/ Adding structures of 7125900, 7125901 via cif-deposit CGI script. |
7125901.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.