Information card for entry 7158707

Structure parameters

• Common name: DKU-20211220
• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• Title of publication: Solvent assisted photochemical formation of a new keto[3,3]paracyclophane.
• Authors of publication: Shin, Ho Suk; Moon, Da Yoon; An, Sejin; Park, Bong Ser
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• a: 7.1109 ± 0.0002 Å
• b: 10.9261 ± 0.0004 Å
• c: 16.7893 ± 0.0005 Å
• α: 90°
• β: 93.492 ± 0.001°
• γ: 90°
• Cell volume: 1302.01 ± 0.07 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: 0.1011
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No