Information card for entry 7238634

Structure parameters

• Formula: C16 H15 N O
• Calculated formula: C16 H15 N O
• Title of publication: Room temperature synthesis of isoquino[2,1-a][3,1]oxazine and isoquino[2,1-a]pyrimidine derivatives via visible light photoredox catalysis
• Authors of publication: Xuan, Jun; Feng, Zhu-Jia; Duan, Shu-Wen; Xiao, Wen-Jing
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 4065
• a: 10.7911 ± 0.0019 Å
• b: 8.3666 ± 0.0015 Å
• c: 6.8985 ± 0.0012 Å
• α: 90°
• β: 93.084 ± 0.003°
• γ: 90°
• Cell volume: 621.93 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No