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Information card for entry 1555689
Preview
Coordinates | 1555689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H19 N O2 |
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Calculated formula | C13 H19 N O2 |
SMILES | O=C1N[C@]23[C@H](CC1)[C@H](CC(=O)C2)C[C@H](C3)C |
Title of publication | Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization. |
Authors of publication | Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 17 |
Pages of publication | 4328 - 4331 |
a | 7.6484 ± 0.0007 Å |
b | 7.0465 ± 0.0006 Å |
c | 10.9071 ± 0.0009 Å |
α | 90° |
β | 98.254 ± 0.009° |
γ | 90° |
Cell volume | 581.74 ± 0.09 Å3 |
Cell temperature | 293.42 ± 0.1 K |
Ambient diffraction temperature | 293.42 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0469 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.0952 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation probe | x-ray |
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/1555689.html
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Users of the data should acknowledge the original authors of the
structural data.