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Information card for entry 7158563
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Coordinates | 7158563.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4m (racemate) |
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Formula | C132 H96 N8 O12 |
Calculated formula | C132 H96 N8 O12 |
Title of publication | Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions |
Authors of publication | Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2022 |
a | 14.7596 ± 0.000014 Å |
b | 9.835999 ± 0.00001 Å |
c | 17.417799 ± 0.000014 Å |
α | 90° |
β | 94.472 ± 0.0018° |
γ | 90° |
Cell volume | 2520.94 ± 0.007 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Ambient diffracton pressure | 100 kPa |
Number of distinct elements | 4 |
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 | 0.0566 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for all reflections | 0.1384 |
Weighted residual factors for significantly intense reflections | 0.1316 |
Weighted residual factors for all reflections included in the refinement | 0.1384 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9581 |
Diffraction radiation wavelength | 1.5418 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/7158563.html
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structural data.