Information card for entry 7232571

Structure parameters

• Chemical name: (Methyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4-carboxylate)
• Formula: C11 H10 Br N3 O2
• Calculated formula: C11 H10 Br N3 O2
• Title of publication: Highly regioselective and sustainable solar click reaction: a new post-synthetic modified triazole organic polymer as a recyclable photocatalyst for regioselective azide‒alkyne cycloaddition reaction
• Authors of publication: Yadav, Dolly; Singh, Nem; Kim, Tae Wu; Kim, Jae Young; Park, No-Joong; Baeg, Jin-Ook
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2677
• a: 5.9656 ± 0.0001 Å
• b: 12.4421 ± 0.0001 Å
• c: 16.3174 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1211.15 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No