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Information card for entry 4028618
Preview
Coordinates | 4028618.cif |
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Original paper (by DOI) | HTML |
Formula | C126.66 H154.64 F8 N4 O10.66 |
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Calculated formula | C126.66 H154.64 F8 N4 O10.66 |
Title of publication | Expanded Porphyrin-like Structures Based on Twinned Triphenylenes |
Authors of publication | Hemant Gopee; Xiangfei Kong; Zhiqun He; Isabelle Chambrier; David L. Hughes; Graham J. Tizzard; Simon J. Coles; Andrew N. Cammidge |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 9505 - 9511 |
a | 13.0439 ± 0.0014 Å |
b | 14.4112 ± 0.0016 Å |
c | 14.9721 ± 0.0016 Å |
α | 85.365 ± 0.007° |
β | 80.789 ± 0.007° |
γ | 89.884 ± 0.006° |
Cell volume | 2768.9 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.2232 |
Residual factor for significantly intense reflections | 0.0835 |
Weighted residual factors for significantly intense reflections | 0.1496 |
Weighted residual factors for all reflections included in the refinement | 0.2041 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
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/4028618.html
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