Information card for entry 4134376

Structure parameters

• Common name: Marek147 (Veeru)
• Formula: C18 H25 F O2
• Calculated formula: C18 H25 F O2
• SMILES: F[C@@]([C@@H](C(=O)OCC)/C=C/c1ccccc1)(C)CCCC.F[C@]([C@H](C(=O)OCC)/C=C/c1ccccc1)(C)CCCC
• Title of publication: Nucleophilic Substitution at Quaternary Carbon Stereocenters.
• Authors of publication: Lanke, Veeranjaneyulu; Marek, Ilan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5543 - 5548
• a: 32.134 ± 0.005 Å
• b: 5.583 ± 0.0004 Å
• c: 20.509 ± 0.003 Å
• α: 90°
• β: 109.643 ± 0.007°
• γ: 90°
• Cell volume: 3465.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No