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Information card for entry 4119138
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4119138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H65 F24 N7 P4 |
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Calculated formula | C74 H65 F24 N7 P4 |
Title of publication | ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger |
Authors of publication | Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 183 - 192 |
a | 10.0901 ± 0.0003 Å |
b | 11.3816 ± 0.0003 Å |
c | 18.0816 ± 0.0005 Å |
α | 71.694 ± 0.001° |
β | 79.448 ± 0.001° |
γ | 65.81 ± 0.001° |
Cell volume | 1794.77 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0554 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1456 |
Weighted residual factors for all reflections included in the refinement | 0.1468 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54178 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/4119138.html
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Users of the data should acknowledge the original authors of the
structural data.