Information card for entry 2023144

Structure parameters

• Chemical name: Ethyl 2-[(2-oxo-2<i>H</i>-chromen-6-yl)oxy]acetate
• Formula: C13 H12 O5
• Calculated formula: C13 H12 O5
• Title of publication: Ethyl 2-[(2-oxo-2H-chromen-6-yl)oxy]acetate
• Authors of publication: Goyal, Navneet; Donahue, James P.; Thompson, Anthony; Zhang, Xiaodong; Mague, Joel T.; Foroozesh, Maryam
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 659 - 662
• a: 8.2188 ± 0.0004 Å
• b: 13.8709 ± 0.0007 Å
• c: 20.837 ± 0.0011 Å
• α: 90°
• β: 96.062 ± 0.002°
• γ: 90°
• Cell volume: 2362.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No