Information card for entry 7211491

Structure parameters

• Formula: C32 H26 Cl N O7
• Calculated formula: C32 H26 Cl N O7
• Title of publication: GAP chemistry for pyrrolyl coumarin derivatives: a highly efficient one-pot synthesis under catalyst-free conditions
• Authors of publication: Wang, Huiyan; Liu, Xuecheng; Feng, Xian; Huang, Zhibin; Shi, Daqing
• Journal of publication: Green Chemistry
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 3307
• a: 29.861 ± 0.003 Å
• b: 10.2141 ± 0.0011 Å
• c: 21.675 ± 0.002 Å
• α: 90°
• β: 117.455 ± 0.001°
• γ: 90°
• Cell volume: 5866.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No