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Information card for entry 1572029
Preview
| Coordinates | 1572029.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H77 F3 N O4 P3 S |
|---|---|
| Calculated formula | C54 H77 F3 N O4 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 | 13.7735 ± 0.0012 Å |
| b | 14.331 ± 0.0012 Å |
| c | 16.4614 ± 0.0014 Å |
| α | 67.221 ± 0.002° |
| β | 80.664 ± 0.003° |
| γ | 64.226 ± 0.002° |
| Cell volume | 2697.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0972 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
1572029.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. |
1572029.cif |
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Users of the data should acknowledge the original authors of the
structural data.