Information card for entry 8107326

Structure parameters

• Formula: C20 H14 O3
• Calculated formula: C20 H14 O3
• Title of publication: The crystal structure of 2-(4-methoxynaphthalen-1-yl)-4H-chromen-4-one, C20H14O3
• Authors of publication: Shin, Soon Young; Lee, Ha-Jin; Sung, Jiha; Koh, Dongsoo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1171 - 1173
• a: 8.3085 ± 0.001 Å
• b: 8.3918 ± 0.0008 Å
• c: 12.1359 ± 0.0014 Å
• α: 91.691 ± 0.005°
• β: 107.708 ± 0.005°
• γ: 113.607 ± 0.005°
• Cell volume: 727.42 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No