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Information card for entry 7156566
Preview
| Coordinates | 7156566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H19 B F2 N2 O3 |
|---|---|
| Calculated formula | C26 H19 B F2 N2 O3 |
| Title of publication | Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls. |
| Authors of publication | Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 46 |
| Pages of publication | 8965 - 8975 |
| a | 11.4282 ± 0.0002 Å |
| b | 25.2193 ± 0.0004 Å |
| c | 7.59768 ± 0.00013 Å |
| α | 90° |
| β | 104.563 ± 0.0017° |
| γ | 90° |
| Cell volume | 2119.39 ± 0.06 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0449 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7156566.cif |
| 230743 | 2019-11-17 | cif/ Updating files of 7156565, 7156566, 7156567 Original log message: Adding full bibliography for 7156565--7156567.cif. |
7156566.cif |
| 211915 | 2018-11-13 | cif/ Adding structures of 7156565, 7156566, 7156567 via cif-deposit CGI script. |
7156566.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.