Information card for entry 7234769

Structure parameters

• Common name: BOXD-o-OCH3
• Chemical name: 2,2-bis(2-methyloxyphenyl)-bi-1,3,4-oxadiazole
• Formula: C18 H14 N4 O4
• Calculated formula: C18 H14 N4 O4
• Title of publication: Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives
• Authors of publication: Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 4451 - 4458
• a: 3.9373 ± 0.0008 Å
• b: 11.632 ± 0.002 Å
• c: 16.943 ± 0.003 Å
• α: 90°
• β: 96.33 ± 0.03°
• γ: 90°
• Cell volume: 771.2 ± 0.3 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: 0.0457
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No