Information card for entry 4032470

Structure parameters

• Formula: C32 H29 Cl N2 O5
• Calculated formula: C32 H29 Cl N2 O5
• SMILES: Clc1ccc(N2[C@]3(O[C@H](N(CC(=O)O)[C@H]3C3=C2CC(CC3=O)(C)C)C(=O)c2ccccc2)c2ccccc2)cc1.Clc1ccc(N2[C@@]3(O[C@@H](N(CC(=O)O)[C@@H]3C3=C2CC(CC3=O)(C)C)C(=O)c2ccccc2)c2ccccc2)cc1
• Title of publication: Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.
• Authors of publication: Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 3605 - 3611
• a: 10.454 ± 0.001 Å
• b: 11.4769 ± 0.0012 Å
• c: 12.4781 ± 0.0015 Å
• α: 95.655 ± 0.001°
• β: 109.758 ± 0.002°
• γ: 94.323 ± 0.001°
• Cell volume: 1392.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1464
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No