Information card for entry 7235568

Structure parameters

• Formula: C14 H10 N2 O2
• Calculated formula: C14 H10 N2 O2
• Title of publication: Cascade synthesis of novel functionalized pyridine-fused coumarins in aqueous medium
• Authors of publication: Xiang, Haoyue; Chen, Jianyang; Miao, Zehong; Yang, Chunhao
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 31
• Pages of publication: 16132
• a: 5.2272 ± 0.0009 Å
• b: 8.0305 ± 0.0013 Å
• c: 13.945 ± 0.002 Å
• α: 88.537 ± 0.011°
• β: 82.628 ± 0.011°
• γ: 74.066 ± 0.01°
• Cell volume: 558.2 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.459
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No