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Information card for entry 7700784
Preview
| Coordinates | 7700784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H18 B F9 N2 |
|---|---|
| Calculated formula | C31 H18 B F9 N2 |
| Title of publication | Reactions of hydrazones and hydrazides with Lewis acidic boranes. |
| Authors of publication | Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 33 |
| Pages of publication | 12391 - 12395 |
| a | 9.5166 ± 0.0004 Å |
| b | 21.8157 ± 0.0008 Å |
| c | 13.1104 ± 0.0005 Å |
| α | 90° |
| β | 99.132 ± 0.004° |
| γ | 90° |
| Cell volume | 2687.37 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0531 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700784.cif |
| 223987 | 2019-11-07 | cif/ Updating files of 7700782, 7700783, 7700784, 7700785, 7700786, 7700787, 7700788, 7700789 Original log message: Adding full bibliography for 7700782--7700789.cif. |
7700784.cif |
| 217485 | 2019-08-10 | cif/ Adding structures of 7700782, 7700783, 7700784, 7700785, 7700786, 7700787, 7700788, 7700789 via cif-deposit CGI script. |
7700784.cif |
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Users of the data should acknowledge the original authors of the
structural data.