Information card for entry 4030242

Structure parameters

• Formula: C38 H34 O6
• Calculated formula: C38 H34 O6
• Title of publication: Synthesis of tri-, tetra-, and pentacarbonyl derivatives via ozonolysis of 1,4-dienes and cyclization to polyaromatic systems.
• Authors of publication: Kersten, Laura; Harms, Klaus; Hilt, Gerhard
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 23
• Pages of publication: 11661 - 11673
• a: 18.1968 ± 0.0012 Å
• b: 18.4667 ± 0.0011 Å
• c: 17.8241 ± 0.0012 Å
• α: 90°
• β: 107.936 ± 0.002°
• γ: 90°
• Cell volume: 5698.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1078
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No