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Information card for entry 4125665
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4125665.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H30 O4 |
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Calculated formula | C22 H30 O4 |
SMILES | O=C1CCC([C@@H]2[C@@H](OC(=O)C)C[C@@]34[C@H]([C@]12C)CC(=O)[C@@H](C(=C)C3)C4)(C)C.O=C1CCC([C@H]2[C@H](OC(=O)C)C[C@]34[C@@H]([C@@]12C)CC(=O)[C@H](C(=C)C3)C4)(C)C |
Title of publication | Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione. |
Authors of publication | Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 8 |
Pages of publication | 2932 - 2935 |
a | 20.323 ± 0.002 Å |
b | 7.6843 ± 0.0008 Å |
c | 23.998 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3747.7 ± 0.7 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0787 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4125665.html
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Users of the data should acknowledge the original authors of the
structural data.