Information card for entry 7107477

Structure parameters

• Formula: C36 H46 N2 O12
• Calculated formula: C18 H23 N O6
• SMILES: O([C@@H]1c2c(N([C@H]1OC(=O)C)C(=O)OC(C)(C)C)ccc(c2)C)C(=O)C.O([C@H]1c2c(N([C@@H]1OC(=O)C)C(=O)OC(C)(C)C)ccc(c2)C)C(=O)C
• Title of publication: A trans diacyloxylation of indoles
• Authors of publication: Qiang Liu; Qingyong Zhao; Jie Liu; Pan Wu; Hong Yi; Aiwen Lei
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3239
• a: 9.185 ± 0.0007 Å
• b: 13.9246 ± 0.0011 Å
• c: 16.2335 ± 0.0013 Å
• α: 75.704 ± 0.002°
• β: 87.418 ± 0.002°
• γ: 72.161 ± 0.002°
• Cell volume: 1914.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No