Information card for entry 1574039

Structure parameters

• Formula: C20 H17 Cl N2 O3
• Calculated formula: C20 H17 Cl N2 O3
• Title of publication: Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.
• Authors of publication: Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 5701 - 5706
• a: 5.872 ± 0.003 Å
• b: 7.735 ± 0.003 Å
• c: 20.137 ± 0.003 Å
• α: 98.57 ± 0.02°
• β: 97.62 ± 0.02°
• γ: 91.31 ± 0.03°
• Cell volume: 895.6 ± 0.6 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No