Information card for entry 4081864

Structure parameters

• Formula: C15 H23 B F3 N O5 S
• Calculated formula: C15 H23 B F3 N O5 S
• Title of publication: Thermodynamically Controlled, Dynamic Binding of Diols to a 1,2-BN Cyclohexane Derivative
• Authors of publication: Harlow, Gregory P.; Zakharov, Lev N.; Wu, Gang; Liu, Shih-Yuan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6650
• a: 5.294 ± 0.0005 Å
• b: 12.1478 ± 0.0012 Å
• c: 28.785 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1851.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No