Information card for entry 4108319

Structure parameters

• Formula: C21 H28 Cl N O6
• Calculated formula: C21 H28 Cl N O6
• Title of publication: Total Synthesis of Chlorofusin, Its Seven Chromophore Diastereomers, and Key Partial Structures
• Authors of publication: Ryan C. Clark; Sang Yeul Lee; Dale L. Boger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12355 - 12369
• a: 10.747 ± 0.002 Å
• b: 14.12 ± 0.003 Å
• c: 16.719 ± 0.003 Å
• α: 107.93 ± 0.03°
• β: 107.91 ± 0.03°
• γ: 90.12 ± 0.03°
• Cell volume: 2283.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.2497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No