Information card for entry 4038335
Formula |
C23 H19 N O3 S |
Calculated formula |
C23 H19 N O3 S |
Title of publication |
Application of Pyridinium 1,4-Zwitterionic Thiolates: Synthesis of Benzopyridothiazepines and Benzothiophenes. |
Authors of publication |
Cheng, Bin; Li, Yuntong; Wang, Taimin; Zhang, Xinping; Li, Hui; He, YiXuan; Li, Yun; Zhai, Hongbin |
Journal of publication |
The Journal of organic chemistry |
Year of publication |
2020 |
a |
10.9495 ± 0.0013 Å |
b |
10.4491 ± 0.001 Å |
c |
17.3052 ± 0.0017 Å |
α |
90° |
β |
94.99 ± 0.011° |
γ |
90° |
Cell volume |
1972.4 ± 0.4 Å3 |
Cell temperature |
286 ± 4 K |
Ambient diffraction temperature |
286 ± 4 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.1104 |
Residual factor for significantly intense reflections |
0.0618 |
Weighted residual factors for significantly intense reflections |
0.1222 |
Weighted residual factors for all reflections included in the refinement |
0.1582 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
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/4038335.html