Information card for entry 4038367
Formula |
C11 H8 F7 N2 O3 P S |
Calculated formula |
C11 H8 F7 N2 O3 P S |
Title of publication |
Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts. |
Authors of publication |
Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J. |
Journal of publication |
The Journal of organic chemistry |
Year of publication |
2020 |
a |
8.73091 ± 0.00008 Å |
b |
7.86576 ± 0.00005 Å |
c |
11.09899 ± 0.00009 Å |
α |
90° |
β |
110.593 ± 0.001° |
γ |
90° |
Cell volume |
713.521 ± 0.011 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
7 |
Space group number |
7 |
Hermann-Mauguin space group symbol |
P 1 n 1 |
Hall space group symbol |
P -2yac |
Residual factor for all reflections |
0.023 |
Residual factor for significantly intense reflections |
0.023 |
Weighted residual factors for significantly intense reflections |
0.0634 |
Weighted residual factors for all reflections included in the refinement |
0.0634 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.085 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/4038367.html