Information card for entry 4129646

Structure parameters

• Formula: C35 H43 N O5 S
• Calculated formula: C35 H43 N O5 S
• SMILES: S(=O)(=O)(n1c2cccc(c2c(c1)C(=C)[C@@H]1[C@@H](CC[C@]2([C@@H](CC[C@@H]3O[C@@H](OCC)C[C@]123)C)C)C)C=O)c1ccc(cc1)C.S(=O)(=O)(n1c2cccc(c2c(c1)C(=C)[C@H]1[C@H](CC[C@@]2([C@H](CC[C@H]3O[C@H](OCC)C[C@@]123)C)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: 11.982 ± 0.002 Å
• b: 16.625 ± 0.003 Å
• c: 15.76 ± 0.003 Å
• α: 90°
• β: 92.09 ± 0.03°
• γ: 90°
• Cell volume: 3137.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No