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Information card for entry 4032450
Preview
Coordinates | 4032450.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 Br O4 |
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Calculated formula | C19 H19 Br O4 |
SMILES | Brc1ccc(COC(=O)C[C@H](C(=O)OCC)c2ccccc2)cc1 |
Title of publication | Catalytic, Enantioselective β-Protonation through a Cooperative Activation Strategy. |
Authors of publication | Wang, Michael H.; Barsoum, David; Schwamb, C. Benjamin; Cohen, Daniel T.; Goess, Brian C.; Riedrich, Matthias; Chan, Audrey; Maki, Brooks E.; Mishra, Rama K.; Scheidt, Karl A. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
a | 5.7229 ± 0.0001 Å |
b | 9.5442 ± 0.0002 Å |
c | 32.0798 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1752.21 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 99.88 K |
Number of distinct elements | 4 |
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 | 0.0281 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0563 |
Weighted residual factors for all reflections included in the refinement | 0.0575 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4032450.html
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