Information card for entry 7118853

Structure parameters

• Formula: C15 H10 N2 O3
• Calculated formula: C15.045 H10 N2.006 O3.009
• Title of publication: Copper-catalyzed oxidative coupling between quinazoline 3-oxides and unactivated aldehydes: an efficient approach to functionalized quinazolines.
• Authors of publication: Fan, Liwen; Wang, Tao; Tian, Ying; Xiong, Fei; Wu, Simei; Liang, Qingjin; Zhao, Junfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5375 - 5378
• a: 6.8611 ± 0.0004 Å
• b: 18.3584 ± 0.0011 Å
• c: 9.5657 ± 0.0006 Å
• α: 90°
• β: 90.0894 ± 0.0007°
• γ: 90°
• Cell volume: 1204.88 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No