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Information card for entry 4033323
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4033323.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H74 F12 N4 O16 P2 |
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Calculated formula | C60 H74 F12 N4 O16 P2 |
Title of publication | Pseudocryptand Hosts for Paraquats and Diquats. |
Authors of publication | Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 2 |
Pages of publication | 823 - 834 |
a | 13.4306 ± 0.0004 Å |
b | 15.139 ± 0.0005 Å |
c | 17.0352 ± 0.0004 Å |
α | 100.24 ± 0.002° |
β | 110.402 ± 0.003° |
γ | 92.464 ± 0.003° |
Cell volume | 3173.95 ± 0.18 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1377 |
Residual factor for significantly intense reflections | 0.1165 |
Weighted residual factors for significantly intense reflections | 0.3404 |
Weighted residual factors for all reflections included in the refinement | 0.3822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.48 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4033323.html
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Users of the data should acknowledge the original authors of the
structural data.