Information card for entry 2013587

Structure parameters

• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: O=N(=O)c1ccc(/C=C/C=C/c2ccc(N(C)C)c3ccccc23)cc1
• Title of publication: <i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and <i>N</i>,<i>N</i>-dimethyl-4-[(1<i>E</i>,3<i>E</i>)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-naphthylamine
• Authors of publication: Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o625 - o628
• a: 6.7383 ± 0.001 Å
• b: 10.3948 ± 0.0016 Å
• c: 12.8735 ± 0.0019 Å
• α: 79.933 ± 0.008°
• β: 81.754 ± 0.008°
• γ: 84.103 ± 0.008°
• Cell volume: 875.8 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes