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Information card for entry 4038376
Preview
Coordinates | 4038376.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H56 F3 N6 O4 P S |
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Calculated formula | C37 H56 F3 N6 O4 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 | 17.327 ± 0.00013 Å |
b | 12.54811 ± 0.0001 Å |
c | 19.52034 ± 0.00014 Å |
α | 90° |
β | 99.518 ± 0.0007° |
γ | 90° |
Cell volume | 4185.71 ± 0.06 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 7 |
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 | 0.0439 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.111 |
Weighted residual factors for all reflections included in the refinement | 0.1148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4038376.html
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