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Information card for entry 7116782
Preview
Coordinates | 7116782.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H20 O4 |
---|---|
Calculated formula | C17 H20 O4 |
SMILES | C1(CC(=O)C[C@H](c2ccccc2)[C@@H](C(=O)OC)C1=O)(C)C.C1(CC(=O)C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1=O)(C)C |
Title of publication | Gallium(III)- and calcium(II)-catalyzed Meyer-Schuster rearrangements followed by intramolecular aldol condensation or endo-Michael addition |
Authors of publication | M. Presset; B. Michelet; R. Guillot; C. Bour; S. Bezzenine-Lafollee; V. Gandon |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 5318 |
a | 8.3539 ± 0.0003 Å |
b | 11.145 ± 0.0003 Å |
c | 16.1987 ± 0.0005 Å |
α | 90° |
β | 101.731 ± 0.001° |
γ | 90° |
Cell volume | 1476.67 ± 0.08 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
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/7116782.html
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