Information card for entry 7122639

Structure parameters

• Formula: C16.5 H20 O0.5
• Calculated formula: C16.5 H20 O0.5
• Title of publication: Alkenylation of unactivated alkyl bromides through visible light photocatalysis
• Authors of publication: Xiao, Wen-Jing; Zhou, Quan-Quan; Düsel, Simon Josef; Lu, Liang-Qiu; König, Burkhard
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 8.658 ± 0.002 Å
• b: 11.271 ± 0.003 Å
• c: 27.041 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2638.8 ± 1.1 ų
• Cell temperature: 297.15 ± 0.1 K
• Ambient diffraction temperature: 297.15 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No