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Information card for entry 4034803
Preview
Coordinates | 4034803.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 O2 |
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Calculated formula | C14 H18 O2 |
SMILES | O[C@@H]1[C@@H](c2ccccc2)[C@H](C=C[C@H]1CO)C |
Title of publication | Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition-State Conformation. |
Authors of publication | Scholl, Katie; Dillashaw, John; Timpy, Evan; Lam, Yu-Hong; DeRatt, Lindsey; Benton, Tyler R.; Powell, Jacqueline P.; Houk, K. N.; Morgan, Jeremy B. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 10 |
Pages of publication | 5756 - 5765 |
a | 13.5592 ± 0.0003 Å |
b | 13.5592 ± 0.0003 Å |
c | 5.6888 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 905.77 ± 0.04 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 144 |
Hermann-Mauguin space group symbol | P 31 |
Hall space group symbol | P 31 |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0727 |
Weighted residual factors for all reflections included in the refinement | 0.0728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4034803.html
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