Information card for entry 4103817

Structure parameters

• Formula: C19 H22 O3
• Calculated formula: C19 H22 O3
• SMILES: O[C@@]([C@H]([C@@H](c1ccc(OC)cc1)O)C=C)(c1ccccc1)C
• Title of publication: Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes
• Authors of publication: Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 1269 - 1273
• a: 10.304 ± 0.012 Å
• b: 8.153 ± 0.006 Å
• c: 10.332 ± 0.012 Å
• α: 90°
• β: 101.67 ± 0.04°
• γ: 90°
• Cell volume: 850 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No