Information card for entry 7063220

Structure parameters

• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• Title of publication: Regioselective synthesis of spiro quinazolinones via sequential hydroalkoxylation and intramolecular amide-cyclization of alkynol ureas
• Authors of publication: Saikia, Anil Kumar; Biswas, Subhamoy; Bora, Surjya Kumar; Arandhara, Pallav Jyoti
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 12.5261 ± 0.0006 Å
• b: 7.3772 ± 0.0004 Å
• c: 16.8208 ± 0.0009 Å
• α: 90°
• β: 98.222 ± 0.002°
• γ: 90°
• Cell volume: 1538.39 ± 0.14 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1141
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No