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Information card for entry 4087956
Preview
| Coordinates | 4087956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.5 H19 B F15 N O3 |
|---|---|
| Calculated formula | C36.5 H19 B F15 N O3 |
| Title of publication | Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3 |
| Authors of publication | Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 21 |
| Pages of publication | 5298 |
| a | 10.117 ± 0.0003 Å |
| b | 11.1727 ± 0.0003 Å |
| c | 15.4493 ± 0.0004 Å |
| α | 85.231 ± 0.002° |
| β | 81.224 ± 0.002° |
| γ | 88.399 ± 0.003° |
| Cell volume | 1719.67 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237158 (current) | 2019-11-24 | cif/ Adding structures of 4087956, 4087957, 4087958, 4087959, 4087960, 4087961, 4087962, 4087963, 4087964, 4087965, 4087966, 4087967 via cif-deposit CGI script. |
4087956.cif |
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Users of the data should acknowledge the original authors of the
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