Information card for entry 1567600

Structure parameters

• Common name: chiral diborane 1
• Formula: C42 H52 B2 O2
• Calculated formula: C42 H52 B2 O2
• Title of publication: Chiral diboranes as catalysts for the stereoselective organopolymerization of epoxides
• Authors of publication: Sirin-Sariaslan, Ayla; Naumann, Stefan
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 11.49 ± 0.0007 Å
• b: 7.2911 ± 0.0006 Å
• c: 20.791 ± 0.0016 Å
• α: 90°
• β: 93.2 ± 0.004°
• γ: 90°
• Cell volume: 1739 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No