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Information card for entry 7218853
Preview
Coordinates | 7218853.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H66 F18 N6 O12 |
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Calculated formula | C72 H66 F18 N6 O12 |
SMILES | FC(F)(F)c1c(cccc1)C(=O)NCc1c(c(c(c(c1CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1c(cccc1)C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1c(cccc1)C(F)(F)F.C1COCCO1.O1CCOCC1.C1COCCO1 |
Title of publication | Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster |
Authors of publication | Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
Journal volume | 4 |
Journal issue | 107 |
Pages of publication | 62689 |
a | 10.968 ± 0.004 Å |
b | 13.856 ± 0.005 Å |
c | 14.25 ± 0.005 Å |
α | 76.125 ± 0.011° |
β | 73.854 ± 0.011° |
γ | 81.532 ± 0.012° |
Cell volume | 2011.9 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0828 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.1978 |
Weighted residual factors for all reflections included in the refinement | 0.2209 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.854 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7218853.html
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Users of the data should acknowledge the original authors of the
structural data.