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Information card for entry 1559731
Preview
Coordinates | 1559731.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55.17 H44.33 N4 O P Zn |
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Calculated formula | C55.1669 H44.3336 N4 O P Zn |
Title of publication | A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers. |
Authors of publication | Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 5 |
Pages of publication | 1750 - 1755 |
a | 28.129 ± 0.0008 Å |
b | 28.129 ± 0.0008 Å |
c | 10.2773 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7042.4 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.198 |
Residual factor for significantly intense reflections | 0.088 |
Weighted residual factors for significantly intense reflections | 0.2059 |
Weighted residual factors for all reflections included in the refinement | 0.2611 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1559731.html
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Users of the data should acknowledge the original authors of the
structural data.