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Information card for entry 7104633
Preview
Coordinates | 7104633.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4-Benzyl-9-chloro-6-(4-chlorophenyl)-1,2,3,3a,4,5a,6,10b- octahydronaphtho(3,2,1- |
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Formula | C28 H25 Cl2 N O |
Calculated formula | C28 H25 Cl2 N O |
SMILES | c1ccccc1CN1C(=O)[C@@H]2[C@H]3[C@@H]1CCC[C@H]3c1cc(ccc1[C@@H]2c1ccc(cc1)Cl)Cl.c1ccccc1CN1C(=O)[C@H]2[C@@H]3[C@H]1CCC[C@@H]3c1cc(ccc1[C@H]2c1ccc(cc1)Cl)Cl |
Title of publication | Rapid construction of five contiguous stereocenters in a multi-cascade reaction. |
Authors of publication | Hu, Yimin; Ouyang, Ying; Qu, Yuan; Hu, Qiong; Yao, Hao |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 30 |
Pages of publication | 4575 - 4577 |
a | 11.0332 ± 0.0012 Å |
b | 11.057 ± 0.002 Å |
c | 11.4123 ± 0.0018 Å |
α | 64.521 ± 0.002° |
β | 67.143 ± 0.003° |
γ | 70.442 ± 0.002° |
Cell volume | 1134.4 ± 0.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0768 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1206 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/7104633.html
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Users of the data should acknowledge the original authors of the
structural data.