Information card for entry 1514335

Structure parameters

• Formula: C18 H19 N3 O
• Calculated formula: C18 H19 N3 O
• Title of publication: Pd-Catalyzed Oxidative Annulation of Hydrazides with Isocyanides: Synthesis of 2-Amino-1,3,4-oxadiazoles.
• Authors of publication: Fang, Tao; Tan, Qitao; Ding, Zhengwei; Liu, Bingxin; Xu, Bin
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 2342 - 2345
• a: 19.276 ± 0.004 Å
• b: 6.8223 ± 0.0014 Å
• c: 13.03 ± 0.003 Å
• α: 90°
• β: 104.354 ± 0.002°
• γ: 90°
• Cell volume: 1660 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No