Information card for entry 8107068

Structure parameters

• Formula: C10 H8 O2
• Calculated formula: C10 H8 O2
• Title of publication: Crystal structure of 3-methyl-2H-chromen-2-one, C10H8O2
• Authors of publication: Fan-Xin, Zeng; Xu-Liang, Nie; Xin-Chen, Shang-guan; Zhong-Ping, Yin; Da-Yong, Peng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 975 - 976
• a: 6.524 ± 0.003 Å
• b: 17.561 ± 0.009 Å
• c: 6.989 ± 0.004 Å
• α: 90°
• β: 100.058 ± 0.007°
• γ: 90°
• Cell volume: 788.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0817
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No