Information card for entry 4516766

Structure parameters

• Formula: C11 H19 Cs O4
• Calculated formula: C11 H19 Cs O4
• Title of publication: Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.
• Authors of publication: Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.
• Journal of publication: ACS central science
• Year of publication: 2016
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 416 - 423
• a: 5.9577 ± 0.0003 Å
• b: 24.1397 ± 0.0013 Å
• c: 9.4019 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1352.15 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No