Information card for entry 4038226
Formula |
C14 H16 Br2 O3 |
Calculated formula |
C14 H16 Br2 O3 |
Title of publication |
Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water. |
Authors of publication |
Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng |
Journal of publication |
The Journal of organic chemistry |
Year of publication |
2020 |
a |
14.7062 ± 0.0005 Å |
b |
7.5665 ± 0.0003 Å |
c |
14.5836 ± 0.0005 Å |
α |
90° |
β |
113.948 ± 0.001° |
γ |
90° |
Cell volume |
1483.08 ± 0.09 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
172.7 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 |
0.0214 |
Residual factor for significantly intense reflections |
0.0212 |
Weighted residual factors for significantly intense reflections |
0.0516 |
Weighted residual factors for all reflections included in the refinement |
0.0518 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.134 |
Diffraction radiation wavelength |
1.34138 Å |
Diffraction radiation type |
GaKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/4038226.html