Information card for entry 4033640
Formula |
C14 H12 N2 O2 S |
Calculated formula |
C14 H12 N2 O2 S |
Title of publication |
Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives ("MB-DIPY"). |
Authors of publication |
Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N. |
Journal of publication |
The Journal of organic chemistry |
Year of publication |
2019 |
a |
5.1907 ± 0.0011 Å |
b |
15.181 ± 0.003 Å |
c |
16.105 ± 0.003 Å |
α |
90° |
β |
95.153 ± 0.004° |
γ |
90° |
Cell volume |
1263.9 ± 0.4 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0599 |
Residual factor for significantly intense reflections |
0.0442 |
Weighted residual factors for significantly intense reflections |
0.1016 |
Weighted residual factors for all reflections included in the refinement |
0.1097 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.072 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/4033640.html