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Information card for entry 1551852
Preview
| Coordinates | 1551852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 P |
|---|---|
| Calculated formula | C19 H15 P |
| SMILES | P1(c2ccccc2c2ccccc12)(c1ccccc1)=C |
| Title of publication | A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal |
| Authors of publication | Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola |
| Journal of publication | Nature Chemistry |
| Year of publication | 2017 |
| Journal volume | 9 |
| Pages of publication | 1126 - 1132 |
| a | 10.1072 ± 0.0004 Å |
| b | 9.2624 ± 0.0004 Å |
| c | 15.2719 ± 0.0006 Å |
| α | 90° |
| β | 93.254 ± 0.002° |
| γ | 90° |
| Cell volume | 1427.4 ± 0.1 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0327 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216473 (current) | 2019-06-21 | cif/ Adding structures of 1551852 via cif-deposit CGI script. |
1551852.cif |
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