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Information card for entry 4026965
Preview
Coordinates | 4026965.cif |
---|---|
Structure factors | 4026965.hkl |
Original paper (by DOI) | HTML |
Formula | C29 H45 N O4 Si |
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Calculated formula | C29 H45 N O4 Si |
SMILES | [Si](OC/C=C/[C@H]1N2[C@@H]3[C@H](O[C@@H]2C[C@@H](C1)C(=O)OCC)Cc1c3c(C(C)C)ccc1)(C)(C)C(C)(C)C |
Title of publication | Stereocontrolled Synthesis of Substituted Chiral Piperidines via One-Pot Asymmetric 6π-Azaelectrocyclization: Asymmetric Syntheses of (-)-Dendroprimine, (+)-7-Epidendroprimine, (+)-5-Epidendroprimine, and (+)-5,7-Epidendroprimine |
Authors of publication | Toyoharu Kobayashi; Futoshi Hasegawa; Yoshikatsu Hirose; Katsunori Tanaka; Hajime Mori; Shigeo Katsumura |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 1812 - 1832 |
a | 15.255 ± 0.003 Å |
b | 10.757 ± 0.003 Å |
c | 9.418 ± 0.002 Å |
α | 90° |
β | 101.43 ± 0.02° |
γ | 90° |
Cell volume | 1514.8 ± 0.6 Å3 |
Cell temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.147 |
Residual factor for significantly intense reflections | 0.143 |
Weighted residual factors for all reflections | 0.273 |
Weighted residual factors for significantly intense reflections | 0.273 |
Weighted residual factors for all reflections included in the refinement | 0.273 |
Goodness-of-fit parameter for all reflections | 27.826 |
Goodness-of-fit parameter for significantly intense reflections | 10.58 |
Goodness-of-fit parameter for all reflections included in the refinement | 10.58 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026965.html
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Users of the data should acknowledge the original authors of the
structural data.