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Information card for entry 7039631
Preview
Coordinates | 7039631.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H42 B Cl N2 O2 |
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Calculated formula | C25 H42 B Cl N2 O2 |
SMILES | Cl[B](=C1N2[C@@H](C(C)C)COC2=C2OC[C@@H](N12)C(C)C)(C1CCCCC1)C1CCCCC1 |
Title of publication | Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations. |
Authors of publication | Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 39 |
Pages of publication | 15303 |
a | 11.2135 ± 0.0005 Å |
b | 13.8015 ± 0.0006 Å |
c | 16.3539 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2531 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150.05 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0505 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0246 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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