Information card for entry 4033009

Structure parameters

• Formula: C74 H72 O4
• Calculated formula: C74 H72 O4
• Title of publication: Silver/Scandium-Cocatalyzed Bicyclization of β-Alkynyl Ketones Leading to Benzo[c]xanthenes and Naphtho[1,2-b]benzofurans.
• Authors of publication: Chen, Ke; Liu, Shuai; Wang, Dan; Hao, Wen-Juan; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 21
• Pages of publication: 11524 - 11530
• a: 12.141 ± 0.006 Å
• b: 16.578 ± 0.008 Å
• c: 15.645 ± 0.008 Å
• α: 90°
• β: 111.516 ± 0.007°
• γ: 90°
• Cell volume: 2929 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1523
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No