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Information card for entry 7112014
Preview
Coordinates | 7112014.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H16 Cl2 O2 |
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Calculated formula | C18 H16 Cl2 O2 |
SMILES | Clc1ccc(C(=O)[C@@H](C)[C@H](C)C(=O)c2ccc(Cl)cc2)cc1.Clc1ccc(C(=O)[C@H](C)[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 |
Title of publication | Oxovanadium(V)-induced diastereoselective oxidative homocoupling of boron enolates |
Authors of publication | Toru Amaya; Takaya Masuda; Yusuke Maegawa; Toshikazu Hirao |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 2279 |
a | 15.7021 ± 0.0002 Å |
b | 9.69233 ± 0.0001 Å |
c | 10.9905 ± 0.0002 Å |
α | 90° |
β | 93.5974 ± 0.001° |
γ | 90° |
Cell volume | 1669.35 ± 0.04 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for all reflections included in the refinement | 0.1675 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180234 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20. |
7112014.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7112014.cif |
103342 | 2014-02-28 | cif/ Adding structures of 7112014, 7112015 via cif-deposit CGI script. |
7112014.cif |
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Users of the data should acknowledge the original authors of the
structural data.