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Information card for entry 7121257
Preview
| Coordinates | 7121257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H30 Cl N3 O3 S |
|---|---|
| Calculated formula | C32 H30 Cl N3 O3 S |
| Title of publication | Highly diastereoselective oxa-[3+3] cyclization with C,N-cyclic azomethine imines via the copper-catalyzed aerobic oxygenated C[double bond, length as m-dash]C bond of indoles. |
| Authors of publication | Yu, Lemao; Zhong, Yuan; Yu, Jicong; Gan, Lu; Cai, Zhengjun; Wang, Rui; Jiang, Xianxing |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 19 |
| Pages of publication | 2353 - 2356 |
| a | 8.6912 ± 0.0005 Å |
| b | 27.8849 ± 0.0016 Å |
| c | 11.428 ± 0.0006 Å |
| α | 90° |
| β | 94.876 ± 0.005° |
| γ | 90° |
| Cell volume | 2759.6 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1304 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7121257.cif |
| 288248 | 2023-12-12 | cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names. |
7121257.cif |
| 228260 | 2019-11-17 | cif/ Updating files of 7121256, 7121257, 7121258 Original log message: Adding full bibliography for 7121256--7121258.cif. |
7121257.cif |
| 206282 | 2018-02-08 | cif/ Adding structures of 7121256, 7121257, 7121258 via cif-deposit CGI script. |
7121257.cif |
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Users of the data should acknowledge the original authors of the
structural data.