Information card for entry 7110289

Structure parameters

• Formula: C34 H32 N4
• Calculated formula: C34 H32 N4
• SMILES: N1(C=CN(C1=NN=C1c2ccccc2c2ccccc12)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/
• Authors of publication: Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 1842 - 1843
• a: 9.7936 ± 0.0006 Å
• b: 10.0529 ± 0.0007 Å
• c: 16.2514 ± 0.001 Å
• α: 75.765 ± 0.001°
• β: 79.711 ± 0.001°
• γ: 64.321 ± 0.001°
• Cell volume: 1392.95 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No