Information card for entry 8102433

Structure parameters

• Formula: C12 H17 B F3 O3 P
• Calculated formula: C12 H17 B F3 O3 P
• Title of publication: Crystal structure of eq-2-p-trifluoromethylphenoxy-2-borane-cis-4,6-dimethyl-1,3,2l3-dioxaphosphorinane, C12H17BF3O3P
• Authors of publication: Herbert Höpfl; Javier Hernández; Magali Salas-Reyes; Samuel Cruz-Sánchez; Zaira J. Dominiguez
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 249
• a: 7.0311 ± 0.0006 Å
• b: 23.087 ± 0.002 Å
• c: 9.5486 ± 0.0009 Å
• α: 90°
• β: 92.612 ± 0.002°
• γ: 90°
• Cell volume: 1548.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No