Information card for entry 7107478

Structure parameters

• Formula: C14 H15 N O5
• Calculated formula: C14 H15 N O5
• SMILES: c12ccccc1[C@@H]([C@H](N2C(=O)C)OC(=O)C)OC(=O)C.c12ccccc1[C@H]([C@@H](N2C(=O)C)OC(=O)C)OC(=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: 8.8633 ± 0.001 Å
• b: 18.912 ± 0.002 Å
• c: 8.4229 ± 0.0009 Å
• α: 90°
• β: 94.108 ± 0.002°
• γ: 90°
• Cell volume: 1408.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0705
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No