Information card for entry 2232979

Structure parameters

• Chemical name: 5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole)
• Formula: C24 H14 N4 O2
• Calculated formula: C24 H14 N4 O2
• SMILES: c1ccc2c(c1)cc(cc2)c1nnc(o1)c1nnc(o1)c1ccc2c(c1)cccc2
• Title of publication: 5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole)
• Authors of publication: Wang, Haitao; Jia, Xiaoshi; Qu, Songnan; Bai, Binglian; Li, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3360
• a: 7.8982 ± 0.0016 Å
• b: 5.7107 ± 0.0011 Å
• c: 21.503 ± 0.005 Å
• α: 90°
• β: 109.82 ± 0.03°
• γ: 90°
• Cell volume: 912.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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 all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes