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Information card for entry 1575036
Preview
Coordinates | 1575036.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H48 B3 N |
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Calculated formula | C29 H48 B3 N |
Title of publication | Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane |
Authors of publication | Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J. |
Journal of publication | Chemical Science |
Year of publication | 2025 |
Journal volume | 16 |
Journal issue | 21 |
Pages of publication | 9255 - 9263 |
a | 13.5001 ± 0.0005 Å |
b | 15.0759 ± 0.0005 Å |
c | 12.6679 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2578.25 ± 0.16 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.0199 |
Weighted residual factors for significantly intense reflections | 0.0349 |
Weighted residual factors for all reflections included in the refinement | 0.0388 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1684 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300333 (current) | 2025-07-04 | cif/ Adding structures of 1575032, 1575033, 1575034, 1575035, 1575036, 1575037 via cif-deposit CGI script. |
1575036.cif |
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Users of the data should acknowledge the original authors of the
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