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Information card for entry 4106233
Preview
Coordinates | 4106233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H14 Cl N O2 |
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Calculated formula | C18 H14 Cl N O2 |
SMILES | Clc1ccc([C@H]2[C@](C2)(C#N)C(=O)c2ccc(cc2)OC)cc1 |
Title of publication | Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group |
Authors of publication | Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 8972 - 8981 |
a | 11.94 ± 0.004 Å |
b | 5.2913 ± 0.0018 Å |
c | 12.294 ± 0.004 Å |
α | 90° |
β | 94.675 ± 0.016° |
γ | 90° |
Cell volume | 774.1 ± 0.4 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4106233.html
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