Information card for entry 4038374
Formula |
C9 H6 Cl2 N P |
Calculated formula |
C9 H6 Cl2 N P |
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 |
12.4333 ± 0.0005 Å |
b |
5.84986 ± 0.00019 Å |
c |
14.1072 ± 0.0005 Å |
α |
90° |
β |
109.657 ± 0.004° |
γ |
90° |
Cell volume |
966.26 ± 0.07 Å3 |
Cell temperature |
100.01 ± 0.1 K |
Ambient diffraction temperature |
100.01 ± 0.1 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 |
0.0633 |
Residual factor for significantly intense reflections |
0.0625 |
Weighted residual factors for significantly intense reflections |
0.1577 |
Weighted residual factors for all reflections included in the refinement |
0.1596 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.086 |
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/4038374.html