Information card for entry 7207896

Structure parameters

• Formula: C20 H19 N3
• Calculated formula: C20 H19 N3
• SMILES: C(#N)c1c2c(c(c3ccc(C)cc3)c(C#N)c1N)CCCCC2
• 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: 9.4865 ± 0.0004 Å
• b: 9.9343 ± 0.0004 Å
• c: 10.5514 ± 0.0005 Å
• α: 114.009 ± 0.002°
• β: 113.796 ± 0.002°
• γ: 90.405 ± 0.002°
• Cell volume: 813.5 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0697
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No