Information card for entry 1575091

Structure parameters

• Formula: C29 H32 B Br O4
• Calculated formula: C29 H32 B Br O4
• Title of publication: Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes.
• Authors of publication: Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 14988 - 14994
• a: 6.661 ± 0.002 Å
• b: 19.722 ± 0.005 Å
• c: 20.481 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690.6 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No