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Information card for entry 1508285
Preview
Coordinates | 1508285.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cyclopentanone |
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Chemical name | Cyclopentanone |
Formula | C15 H16 O6 |
Calculated formula | C15 H16 O6 |
SMILES | COc1ccc(cc1)C(=O)[C@H]1CCC(=O)[C@@]1(O)C(=O)OC.COc1ccc(cc1)C(=O)[C@@H]1CCC(=O)[C@]1(O)C(=O)OC |
Title of publication | Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones. |
Authors of publication | Truong, Phong; Shanahan, Charles S.; Doyle, Michael P. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 14 |
Pages of publication | 3608 - 3611 |
a | 7.8075 ± 0.0007 Å |
b | 11.0061 ± 0.001 Å |
c | 16.7006 ± 0.0015 Å |
α | 90° |
β | 101.069 ± 0.0014° |
γ | 90° |
Cell volume | 1408.4 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0387 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.073 |
Weighted residual factors for all reflections included in the refinement | 0.0742 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/1508285.html
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