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Information card for entry 1555163
Preview
Coordinates | 1555163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16.5 H16 Cl1.5 N2 O3 |
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Calculated formula | C16.5 H16 Cl1.5 N2 O3 |
SMILES | C[C@H]1C[C@@H]2CC3([C@H]1c1ccccc21)C(=O)NC(=O)NC3=O.C(Cl)(Cl)Cl.C[C@@H]1C[C@H]2CC3([C@@H]1c1ccccc21)C(=O)NC(=O)NC3=O |
Title of publication | Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross-Cycloaddition of Cyclopropane 1,1-Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons. |
Authors of publication | Ma, Weiwei; Fang, Jie; Ren, Jun; Wang, Zhongwen |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 17 |
Pages of publication | 4180 - 4183 |
a | 16.298 ± 0.003 Å |
b | 11.852 ± 0.002 Å |
c | 9.939 ± 0.002 Å |
α | 90° |
β | 90.99 ± 0.03° |
γ | 90° |
Cell volume | 1919.6 ± 0.6 Å3 |
Cell temperature | 293.15 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1439 |
Residual factor for significantly intense reflections | 0.1147 |
Weighted residual factors for significantly intense reflections | 0.3265 |
Weighted residual factors for all reflections included in the refinement | 0.3439 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555163.html
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