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Information card for entry 1504011
Preview
Coordinates | 1504011.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H16 O4 |
---|---|
Calculated formula | C9 H16 O4 |
SMILES | O=C1[C@@]([C@@H]([C@@H](CO1)C)O)(C)[C@@H](O)C |
Title of publication | Stereoselective quaternary center construction via atom-transfer radical cyclization using silicon tethers on acyclic precursors. |
Authors of publication | Duplessis, Martin; Waltz, Marie-Eve; Bencheqroun, Mohammed; Cardinal-David, Benoit; Guindon, Yvan |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 14 |
Pages of publication | 3148 - 3151 |
a | 6.2529 ± 0.0003 Å |
b | 8.6287 ± 0.0003 Å |
c | 18.3445 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 989.77 ± 0.07 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
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 | 0.06 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0645 |
Weighted residual factors for all reflections included in the refinement | 0.0697 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/1504011.html
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