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Information card for entry 4128510
Preview
| Coordinates | 4128510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H104 O8 |
|---|---|
| Calculated formula | C88 H104 O8 |
| Title of publication | Catalytic Cross-Coupling of Secondary Alcohols. |
| Authors of publication | Thiyagarajan, Subramanian; Gunanathan, Chidambaram |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 9 |
| Pages of publication | 3822 - 3827 |
| a | 18.4511 ± 0.0008 Å |
| b | 7.8907 ± 0.0002 Å |
| c | 13.3139 ± 0.0004 Å |
| α | 90° |
| β | 108.175 ± 0.004° |
| γ | 90° |
| Cell volume | 1841.69 ± 0.12 Å3 |
| Cell temperature | 294.8 ± 0.3 K |
| Ambient diffraction temperature | 294.8 ± 0.3 K |
| Number of distinct elements | 3 |
| 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 | 0.1686 |
| Residual factor for significantly intense reflections | 0.1433 |
| Weighted residual factors for significantly intense reflections | 0.3234 |
| Weighted residual factors for all reflections included in the refinement | 0.3537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.439 |
| 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 |
|---|---|---|---|
| 221592 (current) | 2019-11-03 | cif/ Adding structures of 4128510 via cif-deposit CGI script. |
4128510.cif |
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Users of the data should acknowledge the original authors of the
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