Information card for entry 4030394

Structure parameters

• Formula: C24 H18 N6 O2
• Calculated formula: C24 H18 N6 O2
• Title of publication: Synthesis of 2-Amino-1,3,4-oxadiazoles and 2-Amino-1,3,4-thiadiazoles via Sequential Condensation and I2-Mediated Oxidative C-O/C-S Bond Formation.
• Authors of publication: Niu, Pengfei; Kang, Jinfeng; Tian, Xianhai; Song, Lina; Liu, Hongxu; Wu, Jie; Yu, Wenquan; Chang, Junbiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 1018
• a: 22.496 ± 0.005 Å
• b: 10.716 ± 0.002 Å
• c: 11.564 ± 0.002 Å
• α: 90°
• β: 99.96 ± 0.03°
• γ: 90°
• Cell volume: 2745.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1768
• Residual factor for significantly intense reflections: 0.1681
• Weighted residual factors for significantly intense reflections: 0.4836
• Weighted residual factors for all reflections included in the refinement: 0.49
• Goodness-of-fit parameter for all reflections included in the refinement: 2.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No