Information card for entry 7129543

Structure parameters

• Formula: C20 H22 N O6
• Calculated formula: C20 H22 N O6
• Title of publication: Copper-catalyzed C-H/N-H annulation of enaminones and alkynyl esters for densely substituted pyrrole synthesis
• Authors of publication: Fu, Leiqing; Wan, Jie-Ping; Zhou, Liyun; Liu, Yunyun
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.1557 ± 0.0016 Å
• b: 8.4598 ± 0.0017 Å
• c: 16.325 ± 0.003 Å
• α: 79.95 ± 0.03°
• β: 84.74 ± 0.03°
• γ: 63.26 ± 0.03°
• Cell volume: 990.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0823
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No