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Information card for entry 7217148
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Coordinates | 7217148.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | <i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[4-fluorobenzenamine] |
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Formula | C20 H14 F2 N2 |
Calculated formula | C20 H14 F2 N2 |
SMILES | c1(ccc(cc1)F)/N=C/c1ccc(/C=N/c2ccc(cc2)F)cc1 |
Title of publication | Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines |
Authors of publication | Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 31 |
Pages of publication | 7226 |
a | 7.468 ± 0.0011 Å |
b | 5.6986 ± 0.0008 Å |
c | 36.149 ± 0.005 Å |
α | 90° |
β | 95.239 ± 0.002° |
γ | 90° |
Cell volume | 1532 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.054 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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