Information card for entry 8107543

Structure parameters

• Formula: C16 H12 O3
• Calculated formula: C16 H12 O3
• Title of publication: Crystal structure of (E)-3-(3-methoxybenzylidene)benzofuran-2(3H)-one, C16H12O3
• Authors of publication: Zheng, Liang Liang; Liu, Xiong Li; Dong, Zhang Chao; Shi, Yang; Pan, Bo Wen; Feng, Ting Ting
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 729 - 731
• a: 10.9636 ± 0.0014 Å
• b: 12.1767 ± 0.0012 Å
• c: 10.1557 ± 0.0013 Å
• α: 90°
• β: 116.588 ± 0.016°
• γ: 90°
• Cell volume: 1212.4 ± 0.3 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 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: 0.0449
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No