Information card for entry 1569665

Structure parameters

• Chemical name: N-(4-(1-Azido-4-phenylbut-3-yn-2-yl)phenyl)acetamide
• Formula: C18 H16 N4 O
• Calculated formula: C18 H16 N4 O
• Title of publication: Azido-alkynylation of alkenes through radical-polar crossover.
• Authors of publication: Borrel, Julien; Waser, Jerome
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 35
• Pages of publication: 9452 - 9460
• a: 43.729 ± 0.002 Å
• b: 9.4992 ± 0.0004 Å
• c: 7.5184 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3123.1 ± 0.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No