Information card for entry 8105173

Structure parameters

• Formula: C21 H14 O3
• Calculated formula: C21 H14 O3
• Title of publication: The crystal structure of 2-(2-methyl-6-phenyl-4H-pyran-4-ylidene)-1H-indene-1,3(2H)-dione, C21H14O3
• Authors of publication: Sun, An-Na; Huang, Xiao-Bo; Wu, Deng-Ze
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 189 - 190
• a: 4.8318 ± 0.0008 Å
• b: 26.59 ± 0.004 Å
• c: 11.821 ± 0.002 Å
• α: 90°
• β: 91.05 ± 0.004°
• γ: 90°
• Cell volume: 1518.5 ± 0.4 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: 0.0731
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No