Information card for entry 7054703

Structure parameters

• Common name: Quinolinone
• Chemical name: 3,7,7-trimethyl-4-phenyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(4H)-one
• Formula: C19 H21 N3 O
• Calculated formula: C19 H21 N3 O
• SMILES: O=C1C2=C(Nc3n[nH]c(c3C2c2ccccc2)C)CC(C1)(C)C
• Title of publication: Nickel nanoparticles assisted regioselective synthesis of pyrazoloquinolinone and triazoloquinazolinone derivatives
• Authors of publication: Singh, Nongthombam Geetmani; Nagarajaprakash, Rammamorthy; Rani, Jims World Star; Kathing, Chingrishon; Nongrum, Ridaphun; Nongkhlaw, Rishanlang
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3908
• a: 10.1735 ± 0.0011 Å
• b: 14.3043 ± 0.001 Å
• c: 11.2897 ± 0.0009 Å
• α: 90°
• β: 96.376 ± 0.008°
• γ: 90°
• Cell volume: 1632.8 ± 0.2 ų
• Cell temperature: 292.34 ± 0.1 K
• Ambient diffraction temperature: 292.34 ± 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: 0.1132
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No