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Information card for entry 7125440
Preview
| Coordinates | 7125440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H18 O |
|---|---|
| Calculated formula | C16 H18 O |
| Title of publication | Base-free Ni-catalyzed Suzuki-type cross-coupling reactions of epoxides with boronic acids. |
| Authors of publication | Lu, Xiao-Yu; Yan, Lu-Yu; Li, Jin-Song; Li, Jia-Mei; Zhou, Hai-Pin; Jiang, Run-Chuang; Liu, Chuang-Chuang; Lu, Ran; Hu, Rong |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 109 - 112 |
| a | 9.0268 ± 0.0007 Å |
| b | 12.5394 ± 0.0011 Å |
| c | 12.5931 ± 0.0007 Å |
| α | 72.488 ± 0.006° |
| β | 70.192 ± 0.006° |
| γ | 87.16 ± 0.007° |
| Cell volume | 1276.75 ± 0.18 Å3 |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0834 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.2222 |
| Weighted residual factors for all reflections included in the refinement | 0.2357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7125440.cif |
| 247564 | 2020-02-04 | cif/ Updating files of 7125440 Original log message: Adding full bibliography for 7125440.cif. |
7125440.cif |
| 243757 | 2019-11-27 | cif/ Adding structures of 7125440 via cif-deposit CGI script. |
7125440.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.