Information card for entry 7157887

Structure parameters

• Formula: C26 H23 F O4
• Calculated formula: C26 H23 F O4
• Title of publication: Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.
• Authors of publication: Chang, Meng-Yang; Tsai, Min-Chen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2254 - 2268
• a: 27.5645 ± 0.0011 Å
• b: 7.0521 ± 0.0003 Å
• c: 22.8442 ± 0.001 Å
• α: 90°
• β: 114.574 ± 0.001°
• γ: 90°
• Cell volume: 4038.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No