Information card for entry 1506585

Structure parameters

• Formula: C22 H19 Cl
• Calculated formula: C22 H19 Cl
• SMILES: c1ccccc1C(c1ccccc1)/C=C(c1ccc(cc1)C)\Cl
• Title of publication: Substitution of benzylic hydroxyl groups with vinyl moieties using vinylboron dihalides.
• Authors of publication: Kabalka, George W.; Yao, Min-Liang; Borella, Scott; Wu, Zhong-Zhi
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 2865 - 2867
• a: 9.871 ± 0.004 Å
• b: 10.243 ± 0.004 Å
• c: 16.997 ± 0.007 Å
• α: 90°
• β: 90.397 ± 0.007°
• γ: 90°
• Cell volume: 1718.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No