Information card for entry 7223274

Structure parameters

• Formula: C21 H19 N O4
• Calculated formula: C21 H19 N O4
• SMILES: c1cccc2c1c(c1cc(c3ccc(cc3)OC)oc(=O)n21)COCC
• Title of publication: Au-catalyzed Intramolecular Annulations Toward Fused Tricyclic [1,3]oxazino[3,4-a]indol-1-ones under Extremely Mild Conditions
• Authors of publication: Chen, Zhiyuan; Zeng, Xingping; Yan, bingyu; zhao, yanlu; Fu, Yang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.197 ± 0.003 Å
• b: 14.855 ± 0.009 Å
• c: 22.937 ± 0.014 Å
• α: 90°
• β: 95.436 ± 0.011°
• γ: 90°
• Cell volume: 1762.8 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No