Information card for entry 7224463

Structure parameters

• Formula: C24 H17 N3 O2
• Calculated formula: C24 H17 N3 O2
• SMILES: n1cc(c2n1C(=O)N(c1ccccc21)Cc1ccccc1)C(=O)c1ccccc1
• Title of publication: Phosphine-Catalyzed Domino Reactions of Alkynyl Ketones with Sulfonylhydrazones: Construction of Diverse Pyrazoloquinazoline Derivatives
• Authors of publication: Chen, Qing-Qing; Li, Kaixun; Lu, Tao; Zhou, Qing-Fa
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.462 ± 0.003 Å
• b: 9.289 ± 0.0019 Å
• c: 13.431 ± 0.003 Å
• α: 90°
• β: 108.57 ± 0.03°
• γ: 90°
• Cell volume: 1828.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1113
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No