Information card for entry 4038279

Structure parameters

• Common name: AC5124
• Formula: C14 H16 N4 O4
• Calculated formula: C14 H16 N4 O4
• 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: 7.108 ± 0.0004 Å
• b: 10.7667 ± 0.0006 Å
• c: 18.9286 ± 0.0009 Å
• α: 90°
• β: 91.471 ± 0.002°
• γ: 90°
• Cell volume: 1448.12 ± 0.13 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No