Information card for entry 7056323

Structure parameters

• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: O=C1NC(Nc2c1cccc2)c1ccc(cc1)C
• 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: 13.027 ± 0.002 Å
• b: 8.884 ± 0.0012 Å
• c: 11.4246 ± 0.0017 Å
• α: 90°
• β: 109.209 ± 0.018°
• γ: 90°
• Cell volume: 1248.6 ± 0.3 ų
• Cell temperature: 289.84 ± 0.17 K
• Ambient diffraction temperature: 289.84 ± 0.17 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075829
• Residual factor for significantly intense reflections: 0.052442
• Weighted residual factors for all reflections included in the refinement: 0.153069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06218
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No