Information card for entry 7207899

Structure parameters

• Formula: C24 H20 N4 O2
• Calculated formula: C24 H20 N4 O2
• SMILES: O(C)c1cc(C2C(=C(C(=C(C2(C#N)C#N)N)C#N)c2ccccc2)C)c(OC)cc1
• Title of publication: Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor‒donor‒acceptor‒acceptor systems and acceptor‒donor‒acceptor triads
• Authors of publication: Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1376
• a: 11.7899 ± 0.0003 Å
• b: 14.3124 ± 0.0005 Å
• c: 14.5079 ± 0.0004 Å
• α: 64.617 ± 0.001°
• β: 78.242 ± 0.001°
• γ: 76.142 ± 0.001°
• Cell volume: 2133.06 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0877
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No