Information card for entry 7156550

Structure parameters

• Formula: C25 H25 N O6
• Calculated formula: C25 H25 N O6
• Title of publication: Synthesis of functionalized cyclopentenes through allenic ketone-based multicomponent reactions.
• Authors of publication: Wang, Qiang; Zhang, Tao; Fan, Yunchang; Fan, Xuesen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 8854 - 8858
• a: 10.932 ± 0.003 Å
• b: 15.037 ± 0.004 Å
• c: 28.078 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4616 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No