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Information card for entry 7226652
Preview
| Coordinates | 7226652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | ic17312 |
|---|---|
| Chemical name | 3f |
| Formula | C25 H26 Br2 N2 O7 |
| Calculated formula | C25 H26 Br2 N2 O7 |
| Title of publication | Constructing Densely Functionalized Hajos–Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade |
| Authors of publication | Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.4202 ± 0.0007 Å |
| b | 12.1455 ± 0.0008 Å |
| c | 12.5464 ± 0.0008 Å |
| α | 61.406 ± 0.0013° |
| β | 71.1351 ± 0.0014° |
| γ | 78.7175 ± 0.0014° |
| Cell volume | 1317.7 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0579 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226652.cif |
| 186791 | 2016-09-27 | cif/ Adding structures of 7226652, 7226653, 7226654, 7226655, 7226656, 7226657 via cif-deposit CGI script. |
7226652.cif |
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Users of the data should acknowledge the original authors of the
structural data.