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Information card for entry 1513515
Preview
Coordinates | 1513515.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H12 O3 |
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Calculated formula | C13 H12 O3 |
SMILES | c1(OC)c(O)cc(c2c(O)cccc2)cc1 |
Title of publication | Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C. |
Authors of publication | Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C. |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 1 |
Pages of publication | 228 - 231 |
a | 22.1929 ± 0.0006 Å |
b | 7.2579 ± 0.0002 Å |
c | 16.8448 ± 0.0003 Å |
α | 90° |
β | 128.526 ± 0.0013° |
γ | 90° |
Cell volume | 2122.66 ± 0.1 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0476 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for all reflections | 0.1012 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1012 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9981 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1513515.html
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