Information card for entry 7207898

Structure parameters

• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: c1(ccccc1)c1c(c(c(C#N)c(N)c1C#N)c1ccncc1)C
• 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: 20.561 ± 0.002 Å
• b: 7.228 ± 0.0008 Å
• c: 24.638 ± 0.003 Å
• α: 90°
• β: 112.873 ± 0.001°
• γ: 90°
• Cell volume: 3373.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No