Information card for entry 4118908

Structure parameters

• Formula: C100 H124 N4 O20 S4
• Calculated formula: C100 H124 N4 O20 S4
• Title of publication: Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds
• Authors of publication: Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18566 - 18569
• a: 11.688 ± 0.004 Å
• b: 12.115 ± 0.004 Å
• c: 19.217 ± 0.005 Å
• α: 90°
• β: 118.581 ± 0.016°
• γ: 90°
• Cell volume: 2389.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.721
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No