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Information card for entry 1567983
Preview
Coordinates | 1567983.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H30 O3 |
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Calculated formula | C20 H30 O3 |
Title of publication | InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids |
Authors of publication | Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 24.7444 ± 0.0007 Å |
b | 6.096 ± 0.0002 Å |
c | 22.996 ± 0.0006 Å |
α | 90° |
β | 95.293 ± 0.002° |
γ | 90° |
Cell volume | 3453.97 ± 0.18 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 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 | 0.1083 |
Residual factor for significantly intense reflections | 0.0943 |
Weighted residual factors for significantly intense reflections | 0.2859 |
Weighted residual factors for all reflections included in the refinement | 0.3056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1567983.html
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Users of the data should acknowledge the original authors of the
structural data.