Information card for entry 4518164
Formula |
C27 H27 N O5 |
Calculated formula |
C27 H27 N O5 |
Title of publication |
Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals |
Authors of publication |
Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko |
Journal of publication |
ACS Catalysis |
Year of publication |
2020 |
Pages of publication |
12770 - 12782 |
a |
13.9717 ± 0.0003 Å |
b |
22.3087 ± 0.0006 Å |
c |
15.064 ± 0.0003 Å |
α |
90° |
β |
90.591 ± 0.002° |
γ |
90° |
Cell volume |
4695.06 ± 0.19 Å3 |
Cell temperature |
90 K |
Ambient diffraction temperature |
90 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0938 |
Residual factor for significantly intense reflections |
0.0541 |
Weighted residual factors for significantly intense reflections |
0.1053 |
Weighted residual factors for all reflections included in the refinement |
0.1196 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.005 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/4518164.html