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Information card for entry 4134077
Preview
Coordinates | 4134077.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 O2 |
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Calculated formula | C20 H26 O2 |
SMILES | O=C1CCC([C@@H]2[C@]1(C)C1=CC(=O)[C@@H]3C[C@@]1(CC2)CC3=C)(C)C.O=C1CCC([C@H]2[C@@]1(C)C1=CC(=O)[C@H]3C[C@]1(CC2)CC3=C)(C)C |
Title of publication | Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach. |
Authors of publication | Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 7.9564 ± 0.0004 Å |
b | 8.9245 ± 0.0005 Å |
c | 23.0248 ± 0.001 Å |
α | 90° |
β | 96.003 ± 0.004° |
γ | 90° |
Cell volume | 1625.95 ± 0.14 Å3 |
Cell temperature | 179.99 ± 0.1 K |
Ambient diffraction temperature | 179.99 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0722 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.1388 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4134077.html
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