Information card for entry 7127027

Structure parameters

• Formula: C32 H28 Cl6 N2 O6 S2
• Calculated formula: C32 H28 Cl6 N2 O6 S2
• Title of publication: Conformation change significantly affected the optical and electronic properties of arylsulfonamide-substituted anthraquinones.
• Authors of publication: Takeda, Takashi; Akutagawa, Tomoyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 72
• Pages of publication: 10564 - 10567
• a: 52.9762 ± 0.0019 Å
• b: 15.1879 ± 0.0005 Å
• c: 13.2 ± 0.0005 Å
• α: 90°
• β: 102.745 ± 0.007°
• γ: 90°
• Cell volume: 10359 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No