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Information card for entry 7111454
Preview
Coordinates | 7111454.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H30 F46 N6 O14 |
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Calculated formula | C86 H30 F46 N6 O14 |
SMILES | c12ccc(=C(c3[n+]4c(c(c5[nH+]c(cc5)=C(c5ccc(=C(c6[n+]7c(c(c8[nH+]c(cc8)=C2c2c(c(c(c(c2F)F)F)F)F)c2c7c(F)c(F)c(F)c2F)cc6)c2c(F)c(F)c(F)c(F)c2F)[nH+]5)c2c(c(c(c(c2F)F)F)F)F)c2c4c(F)c(F)c(F)c2F)cc3)c2c(F)c(F)c(F)c(F)c2F)[nH+]1.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.O1CCCC1.C(F)(F)(F)C(=O)[O-].O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[O-]C(=O)C(F)(F)F.O1CCCC1 |
Title of publication | Doubly N-fused meso-aryl substituted hexaphyrins(1.1.1.1.1.1) |
Authors of publication | Suzuki, Masaaki; Taniguchi, Ryuichiro; Osuka, Atsuhiro |
Journal of publication | Chemical Communications |
Year of publication | 2004 |
Journal issue | 23 |
Pages of publication | 2682 - 2683 |
a | 8.995 ± 0.002 Å |
b | 14.081 ± 0.003 Å |
c | 17.398 ± 0.003 Å |
α | 73.422 ± 0.008° |
β | 86.768 ± 0.008° |
γ | 85.54 ± 0.009° |
Cell volume | 2104.3 ± 0.7 Å3 |
Cell temperature | 123.1 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 significantly intense reflections | 0.057 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.7107 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/7111454.html
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