Information card for entry 7127753

Structure parameters

• Formula: C24 H19 Cl
• Calculated formula: C24 H19 Cl
• SMILES: Clc1ccc(cc1)C(=C\C=C/C=C/c1ccccc1)/c1ccccc1
• Title of publication: Stereoselective synthesis of conjugated trienes <i>via</i> 1,4-palladium migration/Heck sequence.
• Authors of publication: Xue, Ze-Jian; Li, Meng-Yao; Zhu, Bin-Bin; He, Zhi-Tao; Feng, Chen-Guo; Lin, Guo-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 92
• Pages of publication: 14420 - 14422
• a: 10.8825 ± 0.001 Å
• b: 21.5798 ± 0.0016 Å
• c: 8.2395 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1935 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No