Information card for entry 1556140

Structure parameters

• Formula: C22 H21 Cl O4
• Calculated formula: C22 H21 Cl O4
• Title of publication: Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.
• Authors of publication: Bastida, David; Liu, Yankai; Tian, Xu; Escudero-Adán, Eduardo; Melchiorre, Paolo
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 220 - 223
• a: 5.7264 ± 0.0005 Å
• b: 7.5889 ± 0.0007 Å
• c: 21.5174 ± 0.0019 Å
• α: 91.997 ± 0.002°
• β: 94.434 ± 0.002°
• γ: 90.306 ± 0.002°
• Cell volume: 931.69 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No