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Information card for entry 7228528
Preview
Coordinates | 7228528.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H24 F N2 O4.5 |
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Calculated formula | C20 H24 F N2 O4.5 |
SMILES | Fc1ccc(C(=O)C2=C3N(CCCN3)[C@@H]3CC(=O)C[C@H]2C3(OC)OC)cc1.Fc1ccc(C(=O)C2=C3N([C@H]4CC(=O)C[C@@H]2C4(OC)OC)CCCN3)cc1.O |
Title of publication | An environmentally benign double Michael addition reaction of heterocyclic ketene aminals with quinone monoketals for diastereoselective synthesis of highly functionly morphan derivatives in water |
Authors of publication | Ma, Yulu; Wang, Kai-Min; Huang, Rong; Lin, Jun; Yan, Sheng-Jiao |
Journal of publication | Green Chem. |
Year of publication | 2017 |
a | 12.3686 ± 0.0008 Å |
b | 15.9846 ± 0.0011 Å |
c | 9.9812 ± 0.0007 Å |
α | 90° |
β | 113.591 ± 0.001° |
γ | 90° |
Cell volume | 1808.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0385 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0888 |
Weighted residual factors for all reflections included in the refinement | 0.0938 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7228528.html
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Users of the data should acknowledge the original authors of the
structural data.