Information card for entry 7133068

Structure parameters

• Formula: C36 H44 N4 O13 S3
• Calculated formula: C36 H44 N4 O13 S3
• Title of publication: Aggregate-state-dependent photochromism and circularly polarized luminescence of a chiral biquinoline amphiphile.
• Authors of publication: Zhao, Chenyang; Li, Zujian; Ji, Lukang; Wang, Hanxiao; Ouyang, Guanghui; Liu, Minghua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 47
• Pages of publication: 6047 - 6050
• a: 17.0638 ± 0.0003 Å
• b: 4.9924 ± 0.0001 Å
• c: 23.7104 ± 0.0004 Å
• α: 90°
• β: 101.092 ± 0.002°
• γ: 90°
• Cell volume: 1982.14 ± 0.06 ų
• Cell temperature: 169.99 ± 0.14 K
• Ambient diffraction temperature: 169.99 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No