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Information card for entry 4107593
Preview
Coordinates | 4107593.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H8 F20 O4 |
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Calculated formula | C44 H8 F20 O4 |
SMILES | c12ccc(C(=C3C=CC(O3)=C(c3ccc(C(=C4C=CC(=C2c2c(F)c(F)c(F)c(F)c2F)o4)c2c(F)c(F)c(F)c(F)c2F)o3)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)o1 |
Title of publication | Planar Meso Pentafluorophenyl Core Modified Isophlorins |
Authors of publication | J. Sreedhar Reddy; Venkataramanarao G. Anand |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 3718 - 3719 |
a | 19.8252 ± 0.0005 Å |
b | 19.8252 ± 0.0005 Å |
c | 24.8223 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 8449 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.1041 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 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/4107593.html
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Users of the data should acknowledge the original authors of the
structural data.