Information card for entry 7131755
Formula |
C31 H36 Cl2 F N O4 |
Calculated formula |
C31 H36 Cl2 F N O4 |
Title of publication |
Metal-free and enantioselective synthesis of 1,4-benzoxazepines from <i>para</i>-quinone methide derivatives and α-bromohydroxamates. |
Authors of publication |
Qi, Suo-Suo; Luo, Xin; Sun, Xiao-Ping; Zhai, Jing-Jing; Chu, Ming-Ming; Chen, Jin; Wang, Yi-Feng; Xu, Dan-Qian |
Journal of publication |
Chemical communications (Cambridge, England) |
Year of publication |
2023 |
a |
10.1342 ± 0.0001 Å |
b |
10.9767 ± 0.0002 Å |
c |
27.3919 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3047.08 ± 0.08 Å3 |
Cell temperature |
213 K |
Ambient diffraction temperature |
213 K |
Number of distinct elements |
6 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.091 |
Residual factor for significantly intense reflections |
0.0754 |
Weighted residual factors for significantly intense reflections |
0.2166 |
Weighted residual factors for all reflections included in the refinement |
0.2322 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
Diffraction radiation wavelength |
1.34139 Å |
Diffraction radiation type |
GaKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7131755.html