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Information card for entry 4026108
Preview
Coordinates | 4026108.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H10 O3 |
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Calculated formula | C7 H10 O3 |
SMILES | O=C1CC(C1(C)C)C(=O)O |
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 | 22.917 ± 0.007 Å |
b | 5.6502 ± 0.0018 Å |
c | 11.64 ± 0.004 Å |
α | 90° |
β | 100.65 ± 0.004° |
γ | 90° |
Cell volume | 1481.3 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0594 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/4026108.html
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structural data.