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Information card for entry 7118276
Preview
Coordinates | 7118276.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H27 N O3 |
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Calculated formula | C24 H27 N O3 |
SMILES | c1cccc2c1[C@H]1[C@@](C(=O)N2)(C[C@@H]([C@]21CCCC[C@@H]2O)c1ccccc1)CO.c1cccc2c1[C@@H]1[C@](C(=O)N2)(C[C@H]([C@@]21CCCC[C@H]2O)c1ccccc1)CO |
Title of publication | Amide-assisted intramolecular [3+2] annulation of cyclopropane ring-opening: a facile and diastereoselective access to the tricyclic core of (±)-scandine. |
Authors of publication | Xiao, Jun-An; Xia, Peng-Ju; Zhang, Xing-Yu; Chen, Xiao-Qing; Ou, Guang-Chuan; Yang, Hua |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 10 |
Pages of publication | 2177 - 2180 |
a | 44.225 ± 0.002 Å |
b | 11.0988 ± 0.0005 Å |
c | 15.9916 ± 0.0007 Å |
α | 90° |
β | 99.538 ± 0.002° |
γ | 90° |
Cell volume | 7740.9 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7118276.html
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