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Information card for entry 4028879
Preview
Coordinates | 4028879.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H24 F6 N4 O2 |
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Calculated formula | C28 H24 F6 N4 O2 |
SMILES | FC(F)(F)C1(NCCN1)c1c(O)c(c2c(c1)cccc2)c1c(O)c(cc2ccccc12)C1(NCCN1)C(F)(F)F |
Title of publication | Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol |
Authors of publication | Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 12671 - 12680 |
a | 10.532 ± 0.003 Å |
b | 10.532 ± 0.003 Å |
c | 44.888 ± 0.012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4979 ± 2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 78 |
Hermann-Mauguin space group symbol | P 43 |
Hall space group symbol | P 4cw |
Residual factor for all reflections | 0.0913 |
Residual factor for significantly intense reflections | 0.0891 |
Weighted residual factors for significantly intense reflections | 0.2127 |
Weighted residual factors for all reflections included in the refinement | 0.2137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
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/4028879.html
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