Information card for entry 4129645

Structure parameters

• Formula: C33 H37 N O4 S
• Calculated formula: C33 H37 N O4 S
• SMILES: S(=O)(=O)(n1c2cccc(c2c(c1)C1=C[C@H]2O[C@H]3[C@]4(C2)[C@@H]1[C@H](CC[C@]4(C)[C@H](CC3)C)C)C=O)c1ccc(cc1)C.S(=O)(=O)(n1c2cccc(c2c(c1)C1=C[C@@H]2O[C@@H]3[C@@]4(C2)[C@H]1[C@@H](CC[C@@]4(C)[C@@H](CC3)C)C)C=O)c1ccc(cc1)C
• Title of publication: Total Synthesis of Epoxyeujindole A.
• Authors of publication: Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 43
• Pages of publication: 13764 - 13767
• a: 10.213 ± 0.004 Å
• b: 11.096 ± 0.005 Å
• c: 15.471 ± 0.007 Å
• α: 102.123 ± 0.011°
• β: 92.776 ± 0.01°
• γ: 115.93 ± 0.009°
• Cell volume: 1521.8 ± 1.2 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: 0.1612
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No