Information card for entry 4029060

Structure parameters

• Formula: C32 H40 N3 O9.44 S Si
• Calculated formula: C32 H40 N3 O9.324 S Si
• SMILES: c12ccccc1c(c([C@H](C(=O)OC)[C@@H]1CCN(CC\1=N/O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(cc1)C)[nH]2)CC(=O)OC.O.O.c12ccccc1c(c([C@@H](C(=O)OC)[C@H]1CCN(CC\1=N/O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(cc1)C)[nH]2)CC(=O)OC.O.O.O
• Title of publication: Total syntheses of the monoterpene indole alkaloids (±)-alstilobanine A and E and (±)-angustilodine.
• Authors of publication: Feng, Yiqing; Majireck, Max M.; Weinreb, Steven M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 7 - 24
• a: 31.296 ± 0.005 Å
• b: 31.296 ± 0.005 Å
• c: 18.216 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17841 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2274
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.3291
• Weighted residual factors for all reflections included in the refinement: 0.3987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No