Information card for entry 8102775

Structure parameters

• Chemical name: 3,4-Dihydro-3-oxo-6-ethoxycarbonyl-2<i>H</i>-1,4-benzoxazine-2-acetate
• Formula: C15 H17 N O6
• Calculated formula: C15 H17 N O6
• Title of publication: Crystal structure of 3,4-dihydro-3-oxo-6-ethoxycarbonyl-2H-1,4-benzoxazine-2-acetate, C15H17NO6
• Authors of publication: Janina Karolak-Wojciechowska; Ma»gorzata Szczesio; Sabiha Alper-Hayta; Esin Aki; Ismail Yalçin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 531
• a: 7.6096 ± 0.0003 Å
• b: 8.3617 ± 0.0005 Å
• c: 12.3169 ± 0.0005 Å
• α: 80.681 ± 0.004°
• β: 84.982 ± 0.003°
• γ: 84.376 ± 0.004°
• Cell volume: 767.6 ± 0.06 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No