Information card for entry 3500088

Structure parameters

• Chemical name: methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate
• Formula: C21 H37 B O
• Calculated formula: C21 H37 B O
• Title of publication: methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 8.6614 ± 0.0002 Å
• b: 9.6467 ± 0.0002 Å
• c: 23.5332 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1966.29 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0389
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes