Information card for entry 7228305

Structure parameters

• Common name: 3k
• Chemical name: Tetraethyl?2,2'-(2-(4-(4-methoxyphenyl)quinazolin-2-yl)-1,3-phenylene)dimalonate
• Formula: C35 H36 N2 O9
• Calculated formula: C35 H36 N2 O9
• Title of publication: Rhodium-catalyzed malonation of 2-arylquinazolines with 2-diazomalonates: double C‒H functionalization
• Authors of publication: Zhang, Zhipeng; Jiang, Xin; Deng, Zhihong; Wang, Heng; Huang, Jian; Peng, Yiyuan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 44
• Pages of publication: 27603
• a: 8.2108 ± 0.0018 Å
• b: 27.415 ± 0.006 Å
• c: 14.553 ± 0.003 Å
• α: 90°
• β: 100.989 ± 0.003°
• γ: 90°
• Cell volume: 3215.8 ± 1.2 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: 0.1227
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No