Information card for entry 7123280

Structure parameters

• Formula: C14 H18 O6
• Calculated formula: C14 H18 O6
• Title of publication: Organocatalytic Enantioselective Direct Alkylation of Phloroglucinol Derivatives: Asymmetric Total Synthesis of (+)-Aflatoxin B2
• Authors of publication: Wang, Zhonglei; Zu, Liansuo
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.8498 ± 0.0002 Å
• b: 13.1575 ± 0.0004 Å
• c: 13.3327 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1377.05 ± 0.07 ų
• Cell temperature: 107.9 ± 0.5 K
• Ambient diffraction temperature: 107.9 ± 0.5 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: 0.0358
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No