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Information card for entry 1572027
Preview
| Coordinates | 1572027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H60 F4 N O3 P3 S |
|---|---|
| Calculated formula | C45 H60 F4 N O3 P3 S |
| Title of publication | 1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour. |
| Authors of publication | Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 30 |
| Pages of publication | 12006 - 12016 |
| a | 10.6808 ± 0.0004 Å |
| b | 20.4088 ± 0.0008 Å |
| c | 20.8267 ± 0.0008 Å |
| α | 90° |
| β | 96.752 ± 0.002° |
| γ | 90° |
| Cell volume | 4508.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293778 (current) | 2024-08-05 | cif/ Updating files of 1572027, 1572028, 1572029, 1572030, 1572031, 1572032, 1572033, 1572034, 1572035, 1572036, 1572037, 1572038, 1572039, 1572040, 1572041, 1572042, 1572043 Original log message: Adding full bibliography for 1572027--1572043.cif. |
1572027.cif |
| 292686 | 2024-07-03 | cif/ Adding structures of 1572027, 1572028, 1572029, 1572030, 1572031, 1572032, 1572033, 1572034, 1572035, 1572036, 1572037, 1572038, 1572039, 1572040, 1572041, 1572042, 1572043 via cif-deposit CGI script. |
1572027.cif |
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Users of the data should acknowledge the original authors of the
structural data.