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Information card for entry 4038366
Preview
Coordinates | 4038366.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H11 F3 N3 O3 P S3 |
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Calculated formula | C17 H11 F3 N3 O3 P S3 |
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 | 8.9698 ± 0.0002 Å |
b | 9.62662 ± 0.00019 Å |
c | 11.5862 ± 0.00018 Å |
α | 93.2154 ± 0.0014° |
β | 102.334 ± 0.0017° |
γ | 90.6727 ± 0.0019° |
Cell volume | 975.54 ± 0.03 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.103 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4038366.html
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