Information card for entry 7124027

Structure parameters

• Formula: C67 H70 Cl4 N14 O9 S
• Calculated formula: C67 H70 Cl4 N14 O9 S
• Title of publication: Quadruple hybridization of quinoline-triazole oligomers
• Authors of publication: Zhang, Kai; Ma, Chunmiao; Li, Ning; Lu, Chaocao; Li, Dongyao; Fu, Shitao; Gan, Quan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.8181 ± 0.0001 Å
• b: 27.5594 ± 0.0001 Å
• c: 30.1696 ± 0.0002 Å
• α: 86.248 ± 0.001°
• β: 72.999 ± 0.001°
• γ: 81.064 ± 0.001°
• Cell volume: 16348.3 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No