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Information card for entry 1543791
Preview
Coordinates | 1543791.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H68 Cl F14 N7 O2 S2 |
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Calculated formula | C56.0005 H68 Cl F14.0015 N7 O2 S2 |
Title of publication | Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity. |
Authors of publication | Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 13 |
Pages of publication | 3214 - 3217 |
a | 9.7657 ± 0.0013 Å |
b | 12.7259 ± 0.0016 Å |
c | 26.975 ± 0.003 Å |
α | 86.183 ± 0.007° |
β | 83.556 ± 0.007° |
γ | 70.327 ± 0.007° |
Cell volume | 3135.3 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0861 |
Residual factor for significantly intense reflections | 0.069 |
Weighted residual factors for significantly intense reflections | 0.1756 |
Weighted residual factors for all reflections included in the refinement | 0.1886 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1543791.html
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structural data.