Information card for entry 7160176

Structure parameters

• Formula: C36.53 H28.05 Cl2.05 N4 O4
• Calculated formula: C36 H27 Cl N4 O4
• Title of publication: Base-Promoted Cascade Vinylogous Michael/Michael Addition of Alkylidene Succinimides for the Construction of Penta-Substituted Cyclopentanes
• Authors of publication: Liang, Peiyao; Chen, Siyi; Liu, Xin; Teng, Shenghan; Wang, Shoulei
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 11.6545 ± 0.0007 Å
• b: 15.2783 ± 0.0009 Å
• c: 18.493 ± 0.001 Å
• α: 85.94 ± 0.002°
• β: 81.147 ± 0.002°
• γ: 76.613 ± 0.002°
• Cell volume: 3163.1 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No