Information card for entry 7207897

Structure parameters

• Formula: C19 H15 N5 O2
• Calculated formula: C19 H15 N5 O2
• SMILES: O=N(=O)c1cccc(C2C(C(=C(C3=C2CCCC3)C#N)N)(C#N)C#N)c1
• 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: 25.1335 ± 0.0006 Å
• b: 12.37744 ± 0.00018 Å
• c: 13.4158 ± 0.0003 Å
• α: 90°
• β: 119.443 ± 0.003°
• γ: 90°
• Cell volume: 3634.47 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No