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Information card for entry 7217149
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Coordinates | 7217149.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | <i>N,N'</i>-<i>bis</i>[(2-fluorophenyl)methylene]-1,4-benzenediamine |
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Formula | C20 H14 F2 N2 |
Calculated formula | C20 H14 F2 N2 |
SMILES | c1(c(cccc1)F)/C=N/c1ccc(cc1)/N=C/c1c(cccc1)F |
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 | 6.9517 ± 0.0006 Å |
b | 11.5713 ± 0.001 Å |
c | 10.0545 ± 0.0008 Å |
α | 90° |
β | 104.618 ± 0.001° |
γ | 90° |
Cell volume | 782.61 ± 0.11 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 | 0.0498 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.0994 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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