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Information card for entry 8103377
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Coordinates | 8103377.cif |
---|
Formula | C14 H14 N2 |
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Calculated formula | C14 H14 N2 |
SMILES | N(=C\Cc1ccccc1)/Nc1ccccc1 |
Title of publication | Crystal structure of (E)-phenylacetaldehyde phenylhydrazone, C14H14N2 |
Authors of publication | Xin-E Duan; Bin Jia; Hong-Bo Tong; Diansheng Liu |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2012 |
Journal volume | 227 |
Journal issue | 2 |
Pages of publication | 247 |
a | 7.352 ± 0.005 Å |
b | 7.88 ± 0.006 Å |
c | 10.978 ± 0.008 Å |
α | 78.294 ± 0.008° |
β | 73.39 ± 0.007° |
γ | 81.909 ± 0.007° |
Cell volume | 594.5 ± 0.7 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0759 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.111 |
Weighted residual factors for all reflections included in the refinement | 0.1293 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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