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Information card for entry 7713267
Preview
| Coordinates | 7713267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H97 F4 N3 |
|---|---|
| Calculated formula | C60 H97 F4 N3 |
| Title of publication | From cyclic (alkyl)(amino)carbene (CAAC) precursors to fluorinating reagents. Experimental and theoretical study. |
| Authors of publication | Gruden, Evelin; Prinčič, Griša Grigorij; Hočevar, Jan; Iskra, Jernej; Kvíčala, Jaroslav; Tavčar, Gašper |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| a | 9.3894 ± 0.0003 Å |
| b | 17.6755 ± 0.0007 Å |
| c | 17.8951 ± 0.0007 Å |
| α | 96.869 ± 0.003° |
| β | 96.961 ± 0.003° |
| γ | 93.453 ± 0.003° |
| Cell volume | 2918.44 ± 0.19 Å3 |
| Cell temperature | 150.01 ± 0.11 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1491 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284613 (current) | 2023-06-29 | cif/ Adding structures of 7713263, 7713264, 7713265, 7713266, 7713267 via cif-deposit CGI script. |
7713267.cif |
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Users of the data should acknowledge the original authors of the
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