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Information card for entry 4107535
Preview
Coordinates | 4107535.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H11 Cl O3 |
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Calculated formula | C15 H11 Cl O3 |
SMILES | Clc1ccc([C@@H]2OC(=O)c3ccccc3OC2)cc1 |
Title of publication | Rh-Catalyzed Carbonyl Hydroacylation: An Enantioselective Approach to Lactones |
Authors of publication | Zengming Shen; Hasan A. Khan; Vy M. Dong |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 2916 - 2917 |
a | 5.9037 ± 0.0006 Å |
b | 12.2672 ± 0.0002 Å |
c | 17.4319 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1262.45 ± 0.15 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
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 | 0.062 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178821 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75. |
4107535.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107535.cif |
55221 | 2012-05-04 | cif/ Adding structures of 4107535 via cif-deposit CGI script. |
4107535.cif |
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Users of the data should acknowledge the original authors of the
structural data.