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Information card for entry 4104419
Preview
Coordinates | 4104419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H15 Br N2 O |
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Calculated formula | C15 H15 Br N2 O |
SMILES | Brc1c([C@@H]2[C@](C2)(C(=O)N2CCCC2)C#N)cccc1 |
Title of publication | TfNH2 as Achiral Hydrogen-Bond Donor Additive to Enhance the Selectivity of a Transition Metal Catalyzed Reaction. Highly Enantio- and Diastereoselective Rhodium-Catalyzed Cyclopropanation of Alkenes Using α-Cyano Diazoacetamide |
Authors of publication | David Marcoux; Soula Azzi; André B. Charette |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 6970 - 6972 |
a | 6.3066 ± 0.0007 Å |
b | 8.188 ± 0.0008 Å |
c | 26.402 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1363.4 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
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 | 0.0349 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0938 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4104419.html
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