Information card for entry 2232368

Structure parameters

• Chemical name: <i>rac</i>-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7- hexahydrobenzo[<i>c</i>][1,2]oxazole-5-carboxylate
• Formula: C17 H19 N O5
• Calculated formula: C17 H19 N O5
• Title of publication: <i>rac</i>-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexahydrobenzo[<i>c</i>][1,2]oxazole-5-carboxylate
• Authors of publication: Ismiyev, Arif I.; Maharramov, Abel M.; Rashidov, Bahruz A.; Mammadova, Gunay Z.; Askerov, Rizvan K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3018
• a: 6.0712 ± 0.0006 Å
• b: 13.4343 ± 0.0013 Å
• c: 10.0821 ± 0.001 Å
• α: 90°
• β: 96.882 ± 0.002°
• γ: 90°
• Cell volume: 816.39 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes