Information card for entry 4109441

Structure parameters

• Formula: C18 H22 Cl N O6
• Calculated formula: C18 H19 Cl N O6
• Title of publication: Total Synthesis, Assignment of Absolute Stereochemistry, and Structural Revision of Chlorofusin
• Authors of publication: Wen-Jian Qian; Wan-Guo Wei; Yong-Xia Zhang; Zhu-Jun Yao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6400 - 6401
• a: 11.7466 ± 0.001 Å
• b: 11.9119 ± 0.001 Å
• c: 14.2135 ± 0.0012 Å
• α: 95.435 ± 0.002°
• β: 98.953 ± 0.002°
• γ: 93.593 ± 0.002°
• Cell volume: 1949.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1756
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No