Information card for entry 7234890

Structure parameters

• Formula: C60 H78 N6 O6
• Calculated formula: C60 H78 N6 O6
• SMILES: c1(cc(c2onc(c3ccc(cc3)OCCCCCCCCCC)n2)cc(c1)c1onc(c2ccc(cc2)OCCCCCCCCCC)n1)c1onc(c2ccc(cc2)OCCCCCCCCCC)n1
• Title of publication: Aromatic pi-pi driven supergelation, aggregation induced emission and columnar self-assembly of star-shaped 1,2,4-oxadiazole derivatives
• Authors of publication: Suraj Kumar Pathak; Balaram Pradhan; Ravindra Kumar Gupta; Monika Gupta; Santanu Kumar Pal; Ammathnadu S. Achalkumar
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 6546 - 6561
• a: 9.5084 ± 0.0006 Å
• b: 10.1887 ± 0.0006 Å
• c: 29.8085 ± 0.0017 Å
• α: 87.885 ± 0.004°
• β: 83.205 ± 0.004°
• γ: 80.832 ± 0.004°
• Cell volume: 2830.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1543
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No