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Information card for entry 7160449
Preview
| Coordinates | 7160449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 O4 |
|---|---|
| Calculated formula | C15 H10 O4 |
| Title of publication | Access to chiral phthalidyl ester prodrugs <i>via</i> an isothiourea-catalyzed dynamic kinetic resolution reaction. |
| Authors of publication | Cai, Hui; Song, Chaoyang; Ling, Dan; Deng, Youlin; Jin, Zhichao; Li, Tingting |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 4.0759 ± 0.0002 Å |
| b | 7.1675 ± 0.0004 Å |
| c | 10.487 ± 0.0006 Å |
| α | 96.968 ± 0.003° |
| β | 93.261 ± 0.003° |
| γ | 91.06 ± 0.003° |
| Cell volume | 303.51 ± 0.03 Å3 |
| Cell temperature | 303 K |
| Ambient diffraction temperature | 303 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298592 (current) | 2025-03-26 | cif/ Adding structures of 7160449 via cif-deposit CGI script. |
7160449.cif |
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Users of the data should acknowledge the original authors of the
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