Information card for entry 2208972

Structure parameters

• Chemical name: (E,E)-N,N'-Bis(1-phenylethylidene)ethylenediamine
• Formula: C18 H20 N2
• Calculated formula: C18 H20 N2
• SMILES: CC(=N\CC/N=C(/c1ccccc1)C)/c1ccccc1
• Title of publication: (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(1-phenylethylidene)ethylenediamine
• Authors of publication: Benson, Ronald E.; Roy, Tapashi G.; Dey, Benu K.; Barua, Kanak K.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1971 - o1972
• a: 5.4713 ± 0.0007 Å
• b: 14.1328 ± 0.0017 Å
• c: 9.7392 ± 0.0013 Å
• α: 90°
• β: 105.713 ± 0.0005°
• γ: 90°
• Cell volume: 724.94 ± 0.16 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes