Information card for entry 1575090

Structure parameters

• Formula: C23 H29 B O4
• Calculated formula: C23 H29 B 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: 6.6993 ± 0.0011 Å
• b: 14.819 ± 0.002 Å
• c: 21.974 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2181.5 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0849
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No