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Information card for entry 4033059
Preview
Coordinates | 4033059.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H34 O6 |
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Calculated formula | C25 H34 O6 |
SMILES | O1C(=O)[C@@]2(CC[C@]1(C2(C)C)C(=O)OC[C@H]1CC=C2C(CCC[C@]32C(=O)OC[C@@H]13)(C)C)C |
Title of publication | Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin. |
Authors of publication | Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 18 |
Pages of publication | 9576 - 9584 |
a | 6.7453 ± 0.0005 Å |
b | 11.8927 ± 0.001 Å |
c | 14.4914 ± 0.0013 Å |
α | 90° |
β | 101.28 ± 0.009° |
γ | 90° |
Cell volume | 1140.04 ± 0.17 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.099 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.1514 |
Weighted residual factors for all reflections included in the refinement | 0.1774 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4033059.html
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