Information card for entry 2009346

Structure parameters

• Chemical name: 3,5,5-triphenyl-(4H)-1,2,4-oxadiazoline
• Formula: C20 H16 N2 O
• Calculated formula: C20 H16 N2 O
• SMILES: C1(NC(ON=1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole
• Authors of publication: Szczepankiewicz, Wojciech; Suwiński, Jerzy; Słowikowska, Joanna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2156 - 2158
• a: 16.3 ± 0.0008 Å
• b: 5.455 ± 0.001 Å
• c: 34.976 ± 0.002 Å
• α: 90°
• β: 90.667 ± 0.004°
• γ: 90°
• Cell volume: 3109.7 ± 0.6 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No