Information card for entry 7156322

Structure parameters

• Formula: C26 H18 N2 O7
• Calculated formula: C26 H18 N2 O7
• Title of publication: Transition-metal-free synthesis of polysubstituted pyrrole derivatives via cyclization of methyl isocyanoacetate with aurone analogues.
• Authors of publication: Wang, Zhi-Peng; He, Yun; Shao, Pan-Lin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 5422 - 5426
• a: 7.4307 ± 0.0005 Å
• b: 10.8091 ± 0.0007 Å
• c: 14.322 ± 0.0008 Å
• α: 88.506 ± 0.005°
• β: 89.846 ± 0.005°
• γ: 83.022 ± 0.005°
• Cell volume: 1141.42 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No