Information card for entry 1503328

Structure parameters

• Formula: C20 H18
• Calculated formula: C20 H18
• SMILES: [C@H]12CC=C([C@H]1CC=C2c1ccccc1)c1ccccc1
• Title of publication: Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.
• Authors of publication: Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 5546 - 5549
• a: 5.318 ± 0.0006 Å
• b: 13.1826 ± 0.0014 Å
• c: 20.997 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1472 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.086
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No