Information card for entry 2017472

Structure parameters

• Chemical name: (<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene
• Formula: C28 H18 N2 O2
• Calculated formula: C28 H18 N2 O2
• SMILES: c1ccc2c(c1)oc(n2)c1ccc(cc1)/C=C/c1ccc(cc1)c1nc2c(o1)cccc2
• Title of publication: (<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene at 150 and 375K
• Authors of publication: Fourati, M. Amine; Maris, Thierry; Bazuin, C. Géraldine; Prud'homme, Robert E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o11 - o14
• a: 11.2449 ± 0.0004 Å
• b: 6.0053 ± 0.0002 Å
• c: 29.0699 ± 0.0011 Å
• α: 90°
• β: 96.428 ± 0.0017°
• γ: 90°
• Cell volume: 1950.72 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0358
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes