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Information card for entry 4026107
Preview
Coordinates | 4026107.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H20 O2 |
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Calculated formula | C15 H20 O2 |
SMILES | O=C1C2(CCCCC2)[C@@]2(C1)C(=O)[C@@H]1CC[C@H]2C1 |
Title of publication | A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes |
Authors of publication | Jeannette M. O'Brien; Jason S. Kingsbury |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 1662 - 1672 |
a | 6.2191 ± 0.0008 Å |
b | 11.1721 ± 0.0014 Å |
c | 17.86 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1240.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0485 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0817 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4026107.html
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