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Information card for entry 1554779
Preview
Coordinates | 1554779.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22.5 H14.5 Cl1.5 F3 N2 O2 P |
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Calculated formula | C22.5 H14 Cl1.5 F3 N2 O2 P |
Title of publication | Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones |
Authors of publication | Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 1257 |
a | 29.394 ± 0.003 Å |
b | 6.3419 ± 0.0005 Å |
c | 28.119 ± 0.003 Å |
α | 90° |
β | 121.188 ± 0.004° |
γ | 90° |
Cell volume | 4484.2 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1045 |
Residual factor for significantly intense reflections | 0.0849 |
Weighted residual factors for significantly intense reflections | 0.2236 |
Weighted residual factors for all reflections included in the refinement | 0.2386 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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