Information card for entry 4026873

Structure parameters

• Formula: C16 H23 Cl3 O4
• Calculated formula: C16 H23 Cl3 O4
• Title of publication: Stereoselective Total Synthesis of (\±)-Peribysin E
• Authors of publication: Hung-Yi Lee; Chin-Kang Sha
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 598 - 605
• a: 19.8762 ± 0.0005 Å
• b: 19.8762 ± 0.0005 Å
• c: 10.665 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4213.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No