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Information card for entry 1546364
Preview
Coordinates | 1546364.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 N2 |
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Calculated formula | C20 H26 N2 |
SMILES | [nH]1c2ccccc2c2c1[C@H]1N(CC2)C[C@@H]([C@H](C1)CC=C)CC |
Title of publication | A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane. |
Authors of publication | Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 13 |
Pages of publication | 3592 - 3595 |
a | 20.168 ± 0.002 Å |
b | 20.168 ± 0.002 Å |
c | 11.2557 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3964.9 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 3 |
Space group number | 145 |
Hermann-Mauguin space group symbol | P 32 |
Hall space group symbol | P 32 |
Residual factor for all reflections | 0.136 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.126 |
Weighted residual factors for all reflections included in the refinement | 0.1656 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
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/1546364.html
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Users of the data should acknowledge the original authors of the
structural data.