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Information card for entry 4132576
Preview
| Coordinates | 4132576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H39.5 Cl0.5 F3 N2 O3 S Si |
|---|---|
| Calculated formula | C22 H39.5 Cl0.5 F3 N2 O3 S Si |
| Title of publication | A Room-Temperature-Stable Phosphanorcaradiene. |
| Authors of publication | Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 24 |
| Pages of publication | 7466 - 7470 |
| a | 9.2238 ± 0.0006 Å |
| b | 17.261 ± 0.0012 Å |
| c | 17.5861 ± 0.0011 Å |
| α | 90° |
| β | 98.018 ± 0.003° |
| γ | 90° |
| Cell volume | 2772.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 8 |
| 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 | 0.0948 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242528 (current) | 2019-11-26 | cif/ Adding structures of 4132574, 4132575, 4132576, 4132577 via cif-deposit CGI script. |
4132576.cif |
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Users of the data should acknowledge the original authors of the
structural data.