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Information card for entry 1546285
Preview
Coordinates | 1546285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H29 N O6 S |
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Calculated formula | C25 H29 N O6 S |
SMILES | S(=O)(=O)(N1CC[C@@]2([C@H]1CC[C@@H]1OC(O[C@H]21)(C)C)c1ccc2OCOc2c1)c1ccc(C)cc1.S(=O)(=O)(N1CC[C@]2([C@@H]1CC[C@H]1OC(O[C@@H]21)(C)C)c1ccc2OCOc2c1)c1ccc(C)cc1 |
Title of publication | Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine. |
Authors of publication | Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 13 |
Pages of publication | 3516 - 3519 |
a | 11.222 ± 0.005 Å |
b | 17.755 ± 0.008 Å |
c | 11.216 ± 0.005 Å |
α | 90° |
β | 96.775 ± 0.008° |
γ | 90° |
Cell volume | 2219.1 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1809 |
Residual factor for significantly intense reflections | 0.0759 |
Weighted residual factors for significantly intense reflections | 0.1553 |
Weighted residual factors for all reflections included in the refinement | 0.2012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/1546285.html
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Users of the data should acknowledge the original authors of the
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