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Information card for entry 4107536
Preview
Coordinates | 4107536.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 O3 |
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Calculated formula | C14 H18 O3 |
SMILES | O=C(O[C@@H]1CCCC[C@@]1(O)c1ccccc1)C.O=C(O[C@H]1CCCC[C@]1(O)c1ccccc1)C |
Title of publication | Palladium-Catalyzed Olefin Dioxygenation |
Authors of publication | Yang Li; Datong Song; Vy M. Dong |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 2962 - 2964 |
a | 13.735 ± 0.003 Å |
b | 5.6069 ± 0.0011 Å |
c | 16.015 ± 0.003 Å |
α | 90° |
β | 93.98 ± 0.03° |
γ | 90° |
Cell volume | 1230.4 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1159 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for significantly intense reflections | 0.1778 |
Weighted residual factors for all reflections included in the refinement | 0.2172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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. |
4107536.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107536.cif |
55222 | 2012-05-04 | cif/ Adding structures of 4107536 via cif-deposit CGI script. |
4107536.cif |
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Users of the data should acknowledge the original authors of the
structural data.