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Information card for entry 4108652
Preview
Coordinates | 4108652.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H10 Cl N O |
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Calculated formula | C12 H10 Cl N O |
SMILES | Cl[C@@]12C(=O)[C@@H]([C@@H](C(=C)C1)C#N)C=CC=C2 |
Title of publication | Asymmetric Synthesis of Bicyclo[4.3.1]decadienes and Bicyclo[3.3.2]decadienes via [6 + 3] Trimethylenemethane Cycloaddition with Tropones |
Authors of publication | Barry M. Trost; Patrick J. McDougall; Olaf Hartmann; Peter T. Wathen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 14960 - 14961 |
a | 7.9537 ± 0.0014 Å |
b | 9.9845 ± 0.0017 Å |
c | 12.839 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1019.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0255 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.0643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4108652.html
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