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Information card for entry 7154992
Preview
| Coordinates | 7154992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | WYC011632 |
|---|---|
| Formula | C21 H18 Br F3 O4 |
| Calculated formula | C21 H18 Br F3 O4 |
| Title of publication | A convenient method for the synthesis of α-carboxylate ester bromolactones via bromolactonization of alkenoic diesters. |
| Authors of publication | Wong, Ying-Chieh; Yeung, Ying-Yeung |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 3202 - 3206 |
| a | 12.2059 ± 0.0008 Å |
| b | 9.9555 ± 0.0006 Å |
| c | 16.3557 ± 0.0011 Å |
| α | 90° |
| β | 95.472 ± 0.002° |
| γ | 90° |
| Cell volume | 1978.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154992.cif |
| 181784 | 2016-04-05 | cif/ Updating files of 7154992 Original log message: Adding full bibliography for 7154992.cif. |
7154992.cif |
| 176926 | 2016-02-25 | cif/ Adding structures of 7154992 via cif-deposit CGI script. |
7154992.cif |
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Users of the data should acknowledge the original authors of the
structural data.