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Information card for entry 7117667
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Coordinates | 7117667.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Dimethyl (2S,3R)-3-(3-bromophenyl)-2-cyano-2-(phenylsulfonyl)cyclopropane-1,1-dicarboxylate |
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Formula | C20 H16 Br N O6 S |
Calculated formula | C20 H16 Br N O6 S |
SMILES | Brc1cc([C@@H]2C([C@]2(S(=O)(=O)c2ccccc2)C#N)(C(=O)OC)C(=O)OC)ccc1 |
Title of publication | Asymmetric cyclopropanation of conjugated cyanosulfones using a novel cupreine organocatalyst: rapid access to delta^3^-amino acids |
Authors of publication | Lewis S. Aitken; Lisa E. Hammond; Rajkumar Sundaram; Kenneth Shankland; Geoffrey D. Brown; Alexander J. A. Cobb |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 13558 |
a | 8.30101 ± 0.0001 Å |
b | 10.28989 ± 0.00017 Å |
c | 23.4389 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2002.07 ± 0.05 Å3 |
Cell temperature | 150 ± 0.14 K |
Ambient diffraction temperature | 150 ± 0.14 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 | 0.0455 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0707 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation probe | x-ray |
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/7117667.html
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