Information card for entry 7109895

Structure parameters

• Formula: C19 H12
• Calculated formula: C19 H12
• Title of publication: Catalytic cross deoxygenative and dehydrogenative coupling of aldehydes and alkenes: a redox-neutral process to produce skipped dienes
• Authors of publication: Bo Qian; Guoying Zhang; Yongzheng Ding; Hanmin Huang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9839
• a: 7.5874 ± 0.0003 Å
• b: 6.8977 ± 0.0004 Å
• c: 12.9328 ± 0.0005 Å
• α: 90°
• β: 103.773 ± 0.004°
• γ: 90°
• Cell volume: 657.38 ± 0.05 ų
• Cell temperature: 100 ± 7 K
• Ambient diffraction temperature: 100 ± 7 K
• Number of distinct elements: 2
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.3323
• Weighted residual factors for all reflections included in the refinement: 0.3362
• Goodness-of-fit parameter for all reflections included in the refinement: 3.22
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No