Information card for entry 8105120

Structure parameters

• Chemical name: 2-oxo-2H-chromen-4-yl acetate
• Formula: C11 H8 O4
• Calculated formula: C11 H8 O4
• Title of publication: The crystal structure of 2-oxo-2H-chromen-4-yl acetate, C11H8O4
• Authors of publication: Hulushe, Siya T.; Manyeruke, Meloddy H.; Hosten, Eric C.; Kaye, Perry T.; Watkins, Gareth M.; Krause, Rui W. M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 397 - 398
• a: 4.5947 ± 0.0002 Å
• b: 10.5414 ± 0.0003 Å
• c: 19.1611 ± 0.0007 Å
• α: 90°
• β: 94.084 ± 0.002°
• γ: 90°
• Cell volume: 925.7 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No