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Information card for entry 1547036
Preview
Coordinates | 1547036.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H49 N O6 S Si |
---|---|
Calculated formula | C30 H49 N O6 S Si |
SMILES | S(=O)(=O)(N1[C@H]2[C@]([C@]3([C@@H](OCOC)CC2)C(=O)CCC3)([C@@H](C1)CCO[Si](C)(C)C(C)(C)C)C)c1ccc(cc1)C.S(=O)(=O)(N1[C@@H]2[C@@]([C@@]3([C@H](OCOC)CC2)C(=O)CCC3)([C@H](C1)CCO[Si](C)(C)C(C)(C)C)C)c1ccc(cc1)C |
Title of publication | Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction. |
Authors of publication | Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 17 |
Pages of publication | 4648 - 4651 |
a | 12.6657 ± 0.0005 Å |
b | 13.8437 ± 0.0007 Å |
c | 19.3886 ± 0.0009 Å |
α | 101.972 ± 0.004° |
β | 99.482 ± 0.004° |
γ | 91.091 ± 0.004° |
Cell volume | 3275.2 ± 0.3 Å3 |
Cell temperature | 292.7 ± 0.6 K |
Ambient diffraction temperature | 292.7 ± 0.6 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1942 |
Residual factor for significantly intense reflections | 0.0889 |
Weighted residual factors for significantly intense reflections | 0.2195 |
Weighted residual factors for all reflections included in the refinement | 0.3035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/1547036.html
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Users of the data should acknowledge the original authors of the
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