Information card for entry 7135118

Structure parameters

• Formula: C25 H28 O3
• Calculated formula: C25 H28 O3
• Title of publication: CuH-Catalyzed Stereoselective Desymmetrization of Prochiral Cyclopentane-1,3-diones via Alkoxyallylation
• Authors of publication: Maurya, Sundaram; Patil, Vaibhav B.; Raghu Ramudu, G.; Amrutkar, Virendra S.; Mendapara, Yash G.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 8.4261 ± 0.0004 Å
• b: 11.7773 ± 0.0006 Å
• c: 11.2319 ± 0.0006 Å
• α: 90°
• β: 107.842 ± 0.0017°
• γ: 90°
• Cell volume: 1061.01 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No