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Information card for entry 4130227
Preview
Coordinates | 4130227.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C77 H60 F24 N6 O P4 |
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Calculated formula | C77 H60 F24 N6 O P4 |
Title of publication | Cooperative Reactivity in an Extended-Viologen-Based Cyclophane. |
Authors of publication | Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 11 |
Pages of publication | 3667 - 3670 |
a | 10.5028 ± 0.0007 Å |
b | 11.0221 ± 0.0007 Å |
c | 21.9016 ± 0.0015 Å |
α | 82.419 ± 0.004° |
β | 82.604 ± 0.004° |
γ | 63.647 ± 0.003° |
Cell volume | 2245 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 99.99 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 | 0.1348 |
Residual factor for significantly intense reflections | 0.0725 |
Weighted residual factors for significantly intense reflections | 0.1986 |
Weighted residual factors for all reflections included in the refinement | 0.2206 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4130227.html
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Users of the data should acknowledge the original authors of the
structural data.