Information card for entry 7154134

Structure parameters

• Chemical name: 4ge
• Formula: C30 H40 Cl N O
• Calculated formula: C30 H40 Cl N O
• SMILES: Clc1c(/C=C/CN(C(=O)C2CCCCC2)c2cc(ccc2C(C)(C)C)C(C)(C)C)cccc1
• Title of publication: Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.
• Authors of publication: Liu, Yilin; Feng, Xiangqing; Du, Haifeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 125 - 132
• a: 9.779 ± 0.003 Å
• b: 10.66 ± 0.004 Å
• c: 26.314 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2743.1 ± 1.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No