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Information card for entry 4029460
Preview
Coordinates | 4029460.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H19 N O4 |
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Calculated formula | C12 H19 N O4 |
SMILES | O=C1[C@H]2CC(CC[C@]2(O)[C@@H](N(=O)=O)CC1)(C)C.O=C1[C@@H]2CC(CC[C@@]2(O)[C@H](N(=O)=O)CC1)(C)C |
Title of publication | Total Syntheses of (±)-Omphadiol and (±)-Pyxidatol C through a Cis-Fused 5,7-Carbocyclic Common Intermediate. |
Authors of publication | Zhou, Lili; Yao, Yanmin; Xu, Wenbo; Liang, Guangxin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 11 |
Pages of publication | 5345 - 5350 |
a | 11.119 ± 0.008 Å |
b | 11.175 ± 0.007 Å |
c | 18.547 ± 0.015 Å |
α | 77.91 ± 0.05° |
β | 84.55 ± 0.05° |
γ | 60.74 ± 0.03° |
Cell volume | 1966 ± 3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1793 |
Residual factor for significantly intense reflections | 0.1133 |
Weighted residual factors for significantly intense reflections | 0.2877 |
Weighted residual factors for all reflections included in the refinement | 0.3432 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/4029460.html
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