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Information card for entry 1546757
Preview
Coordinates | 1546757.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H44 B N |
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Calculated formula | C25 H44 B N |
SMILES | C1(C(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)(C)C)=[BH2]CC(C)(C)C |
Title of publication | Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor |
Authors of publication | Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 15.483 ± 0.0017 Å |
b | 9.8194 ± 0.001 Å |
c | 16.6483 ± 0.0019 Å |
α | 90° |
β | 105.121 ± 0.004° |
γ | 90° |
Cell volume | 2443.5 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0762 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.0969 |
Weighted residual factors for all reflections included in the refinement | 0.11 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1546757.html
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