Information card for entry 2007240

Structure parameters

• Chemical name: 2,2'-bibenzoxazole
• Formula: C14 H8 N2 O2
• Calculated formula: C14 H8 N2 O2
• SMILES: c1ccc2c(c1)oc(n2)c1nc2c(o1)cccc2
• Title of publication: 2,2'-Bibenzoxazole
• Authors of publication: F. Ekkehardt Hahn; Lutz Imhof; Thomas Lügger
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 668 - 669
• a: 4.644 ± 0.003 Å
• b: 16.559 ± 0.005 Å
• c: 7.007 ± 0.003 Å
• α: 90°
• β: 94.19 ± 0.04°
• γ: 90°
• Cell volume: 537.4 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No