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Information card for entry 4107244
Preview
Coordinates | 4107244.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 Br O3 |
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Calculated formula | C15 H17 Br O3 |
SMILES | [C@@]1([C@](C1)(C=O)Br)(C(=O)OC(C)(C)C)c1ccccc1 |
Title of publication | Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers |
Authors of publication | Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 20708 - 20711 |
a | 6.0794 ± 0.0006 Å |
b | 9.541 ± 0.001 Å |
c | 13.1014 ± 0.0013 Å |
α | 90° |
β | 102.299 ± 0.002° |
γ | 90° |
Cell volume | 742.49 ± 0.13 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.115 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1167 |
Weighted residual factors for all reflections included in the refinement | 0.1984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107244.html
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