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Information card for entry 4038368
Preview
Coordinates | 4038368.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H16 F3 N2 O3 P S |
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Calculated formula | C27 H16 F3 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 | 17.552 ± 0.0002 Å |
b | 8.75829 ± 0.00009 Å |
c | 16.02248 ± 0.00019 Å |
α | 90° |
β | 113.469 ± 0.0014° |
γ | 90° |
Cell volume | 2259.3 ± 0.05 Å3 |
Cell temperature | 99.99 ± 0.17 K |
Ambient diffraction temperature | 99.99 ± 0.17 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Weighted residual factors for all reflections included in the refinement | 0.1092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038368.html
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Users of the data should acknowledge the original authors of the
structural data.