Information card for entry 7202102

Structure parameters

• Formula: C18 H14 N4 O4
• Calculated formula: C18 H14 N4 O4
• SMILES: COc1ccc(c2nnc(c3nnc(c4ccc(cc4)OC)o3)o2)cc1
• Title of publication: Self-assembly of highly luminescent bi-1,3,4-oxadiazole derivatives through electron donor‒acceptor interactions in three-dimensional crystals, two-dimensional layers and mesophases
• Authors of publication: Qu, Songnan; Chen, Xiaofang; Shao, Xiang; Li, Fan; Zhang, Hongyu; Wang, Haitao; Zhang, Peng; Yu, Zhixin; Wu, Kai; Wang, Yue; Li, Min
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 33
• Pages of publication: 3954
• a: 6.4194 ± 0.0013 Å
• b: 8.268 ± 0.0017 Å
• c: 15.213 ± 0.003 Å
• α: 90°
• β: 92.69 ± 0.03°
• γ: 90°
• Cell volume: 806.5 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No