Information card for entry 4109442

Structure parameters

• Formula: C25 H24 Cl N3 O11
• Calculated formula: C25 H24 Cl N3 O11
• SMILES: ClC1=C2[C@H](OC(=O)c3cc(N(=O)=O)cc(N(=O)=O)c3)[C@]3(N(C=C2C(=O)[C@](OC(=O)CCC)(C1=O)C)C)OCCC3.ClC1=C2[C@@H](OC(=O)c3cc(N(=O)=O)cc(N(=O)=O)c3)[C@@]3(N(C=C2C(=O)[C@@](OC(=O)CCC)(C1=O)C)C)OCCC3
• 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: 9.0821 ± 0.001 Å
• b: 9.2067 ± 0.001 Å
• c: 16.5767 ± 0.0018 Å
• α: 83.235 ± 0.002°
• β: 76.777 ± 0.002°
• γ: 77.024 ± 0.002°
• Cell volume: 1311.6 ± 0.2 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: 0.1167
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No