Information card for entry 4038281

Structure parameters

• Formula: C24 H20 N4 O3
• Calculated formula: C24 H20 N4 O3
• Title of publication: A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.
• Authors of publication: Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 9
• Pages of publication: 6044 - 6059
• a: 29.875 ± 0.01 Å
• b: 5.607 ± 0.002 Å
• c: 12.349 ± 0.004 Å
• α: 90°
• β: 101.081 ± 0.013°
• γ: 90°
• Cell volume: 2030 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No