Information card for entry 1574040

Structure parameters

• Formula: C20 H17 Cl N2 O3
• Calculated formula: C20 H17 Cl N2 O3
• SMILES: Clc1ccc(c2ccc(cc2)C(=O)C(=N#N)C/C=C/C(=O)OCC)cc1
• 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: 7.6916 ± 0.0004 Å
• b: 5.838 ± 0.0003 Å
• c: 40.645 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1825.11 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No