Information card for entry 7056322

Structure parameters

• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: o1c(C2N(C(=O)c3c(N2)cccc3)c2ccc(cc2)C)ccc1
• Title of publication: Preparation, characterization and catalytic application of nano-Fe3O4-DOPA-SnO2 having high TON and TOF for non-toxic and sustainable synthesis of dihydroquinazolinone derivatives
• Authors of publication: Dam, Binoyargha; Patil, Ranjit A.; Ma, Yuan-Ron; Pal, Amarta Kumar
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 6553 - 6563
• a: 14.3966 ± 0.0017 Å
• b: 6.8726 ± 0.0005 Å
• c: 17.724 ± 0.002 Å
• α: 90°
• β: 113.844 ± 0.015°
• γ: 90°
• Cell volume: 1604 ± 0.3 ų
• Cell temperature: 293.25 ± 0.1 K
• Ambient diffraction temperature: 293.25 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.101843
• Residual factor for significantly intense reflections: 0.071879
• Weighted residual factors for all reflections included in the refinement: 0.156951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07444
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No