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Information card for entry 4124260
Preview
Coordinates | 4124260.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H38 O8 |
---|---|
Calculated formula | C29 H38 O8 |
SMILES | [C@@H]12CC(=O)O[C@]31C[C@]1(CC[C@@]4([C@@H](C(=O)C=C4[C@@H]1CC[C@H]3C(C)(C)O2)[C@H](C)[C@@H]([C@@H]1C=C(C(=O)O1)C)O)C)O.[C@H]12CC(=O)O[C@@]31C[C@@]1(CC[C@]4([C@H](C(=O)C=C4[C@H]1CC[C@@H]3C(C)(C)O2)[C@@H](C)[C@H]([C@H]1C=C(C(=O)O1)C)O)C)O |
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 | 6.3154 ± 0.001 Å |
b | 11.6172 ± 0.0016 Å |
c | 35.175 ± 0.004 Å |
α | 90° |
β | 90.05° |
γ | 90° |
Cell volume | 2580.7 ± 0.6 Å3 |
Cell temperature | 180.01 ± 0.1 K |
Ambient diffraction temperature | 180.01 ± 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 | 0.0899 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
154667 (current) | 2015-09-06 | cif/ Updating files of 4124259, 4124260 Original log message: Adding full bibliography for 4124259--4124260.cif. |
4124260.cif |
153322 | 2015-08-11 | cif/ Adding structures of 4124260 via cif-deposit CGI script. |
4124260.cif |
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Users of the data should acknowledge the original authors of the
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