Information card for entry 4116068

Structure parameters

• Formula: C20 H37 B Br O2 P
• Calculated formula: C20 H37 B Br O2 P
• SMILES: Br[B@H]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C(=O)OC
• Title of publication: An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom
• Authors of publication: Tsuneo Imamoto; Hideaki Morishita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 6329 - 6330
• a: 7.666 ± 0.002 Å
• b: 17.2 ± 0.002 Å
• c: 8.955 ± 0.002 Å
• α: 90°
• β: 109.84 ± 0.02°
• γ: 90°
• Cell volume: 1110.7 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.866
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No