Information card for entry 1545929

Structure parameters

• Formula: C15 H15 Cl O2
• Calculated formula: C15 H15 Cl O2
• SMILES: Clc1ccc(cc1)[C@H]1CC(=O)[C@H]2CC(=O)CC[C@@H]12
• Title of publication: Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.
• Authors of publication: Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2130 - 2133
• a: 9.1478 ± 0.0005 Å
• b: 11.1509 ± 0.0006 Å
• c: 12.6918 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1294.64 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No