Information card for entry 1574041

Structure parameters

• Formula: C21 H19 Cl N2 O3
• Calculated formula: C21 H19 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: 20.171 ± 0.005 Å
• b: 9.765 ± 0.004 Å
• c: 39.079 ± 0.011 Å
• α: 90°
• β: 99.308 ± 0.011°
• γ: 90°
• Cell volume: 7596 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No