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Information card for entry 4124259
Preview
Coordinates | 4124259.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H72 O12 Si2 |
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Calculated formula | C48 H72 O12 Si2 |
SMILES | C1(=O)[C@@]2(C[C@@]3(CC[C@@]4(C)CC(=O)C(=C4C3=CC[C@@H]2C(C)(C)O1)[Si](C)(C)C)O)O.C1(=O)[C@]2(C[C@]3(CC[C@]4(C)CC(=O)C(=C4C3=CC[C@H]2C(C)(C)O1)[Si](C)(C)C)O)O.CC(=O)OCC |
Title of publication | Asymmetric Total Synthesis of Propindilactone G. |
Authors of publication | You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 32 |
Pages of publication | 10120 - 10123 |
a | 6.3335 ± 0.0006 Å |
b | 38.2 ± 0.003 Å |
c | 19.9859 ± 0.0012 Å |
α | 90° |
β | 92.539 ± 0.007° |
γ | 90° |
Cell volume | 4830.6 ± 0.7 Å3 |
Cell temperature | 180.01 ± 0.11 K |
Ambient diffraction temperature | 180.01 ± 0.11 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0752 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.1243 |
Weighted residual factors for all reflections included in the refinement | 0.131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.7107 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/4124259.html
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Users of the data should acknowledge the original authors of the
structural data.