Information card for entry 1556382

Structure parameters

• Formula: C14 H16 N2 O2
• Calculated formula: C14 H16 N2 O2
• SMILES: O=C1C(=C(c2ccncc2)N)C(=O)CC(C)(C1)C
• Title of publication: Porous silica nanoparticles with mesoscopic void spaces for the domino intermolecular aerobic oxidative synthesis of novel β,β′-diketoenamines
• Authors of publication: Ray, Suman; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 1267
• a: 5.8113 ± 0.0002 Å
• b: 23.7797 ± 0.0008 Å
• c: 9.2207 ± 0.0003 Å
• α: 90°
• β: 95.959 ± 0.002°
• γ: 90°
• Cell volume: 1267.33 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0509
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.646
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No