Information card for entry 7157520

Structure parameters

• Formula: C4.75 H5 N O1.25
• Calculated formula: C4.75 H5 N O1.25
• Title of publication: Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.
• Authors of publication: Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4470 - 4478
• a: 18.271 ± 0.003 Å
• b: 8.4386 ± 0.0016 Å
• c: 12.378 ± 0.0019 Å
• α: 90°
• β: 93.24 ± 0.006°
• γ: 90°
• Cell volume: 1905.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No