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Information card for entry 7239951
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Coordinates | 7239951.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H27 N O6 |
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Calculated formula | C33 H27 N O6 |
Title of publication | A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates |
Authors of publication | Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard |
Journal of publication | Green Chemistry |
Year of publication | 2020 |
Journal volume | 22 |
Journal issue | 6 |
Pages of publication | 1894 - 1905 |
a | 12.6327 ± 0.0006 Å |
b | 15.2434 ± 0.0007 Å |
c | 15.98 ± 0.0007 Å |
α | 102.027 ± 0.002° |
β | 105.432 ± 0.002° |
γ | 112.595 ± 0.002° |
Cell volume | 2566.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0998 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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/7239951.html
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structural data.