Information card for entry 7232443

Structure parameters

• Chemical name: 2,5-diphenyl-1,3,4-oxadiazole
• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• Title of publication: Electrophilic activation of nitroalkanes in efficient synthesis of 1,3,4-oxadiazoles
• Authors of publication: Aksenov, Alexander V.; Khamraev, Vladislav; Aksenov, Nicolai A.; Kirilov, Nikita K.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 6636
• a: 12.71311 ± 0.00016 Å
• b: 23.6491 ± 0.0003 Å
• c: 22.677 ± 0.0003 Å
• α: 90°
• β: 101.732 ± 0.0012°
• γ: 90°
• Cell volume: 6675.49 ± 0.15 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No