Information card for entry 7212365

Structure parameters

• Formula: C11 H13 N O5
• Calculated formula: C11 H13 N O5
• SMILES: c1c2CO[C@H]3[C@@H](c2no1)O[C@H]1[C@@H]3OC(C)(C)O1
• Title of publication: ‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)
• Authors of publication: Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1090
• a: 8.449 ± 0.0008 Å
• b: 11.2583 ± 0.0012 Å
• c: 12.0738 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1148.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No