Information card for entry 7244372

Structure parameters

• Formula: C29 H26 B N2 O3.5
• Calculated formula: C29 H26 B N2 O3.5
• Title of publication: NMR analysis of the enantiomeric purity of chiral diols by a new chiral boron agent
• Authors of publication: Zhang, Xuebo; Xu, Jing; Sun, Zhaofeng; Bian, Guangling; Song, Ling
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4692 - 4696
• a: 7.7796 ± 0.0005 Å
• b: 13.1314 ± 0.0011 Å
• c: 24.231 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2475.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.04 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: 0.0499
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No