Information card for entry 4131157

Structure parameters

• Formula: C24 H34 O3
• Calculated formula: C24 H34 O3
• SMILES: O([C@]1(CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C)CCCC=O)C
• Title of publication: An Effective Pd-Catalyzed Regioselective Hydroformylation of Olefins with Formic Acid.
• Authors of publication: Ren, Wenlong; Chang, Wenju; Dai, Jie; Shi, Yuan; Li, Jingfu; Shi, Yian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 45
• Pages of publication: 14864 - 14867
• a: 6.828 ± 0.0014 Å
• b: 9.559 ± 0.0019 Å
• c: 31.669 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2067 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1416
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No