Information card for entry 7718616

Structure parameters

• Formula: C242 H318 F12 K6 N32 O71 P2 S4
• Calculated formula: C216 H257 F12 K6 N29 O65 P2 S4
• Title of publication: Dithienylethene-based supramolecular chiroptical switch in phosphate-coordination-driven 2 : 2 duplexes.
• Authors of publication: Lu, Mengxue; Sun, Xiao-Wen; Wang, Ji; Zhao, Wei; Ma, Hongwei; Yang, Xiao-Juan; Wu, Biao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 8841 - 8845
• a: 23.872 ± 0.002 Å
• b: 23.947 ± 0.002 Å
• c: 28.949 ± 0.003 Å
• α: 91.552 ± 0.002°
• β: 100.437 ± 0.002°
• γ: 116.519 ± 0.002°
• Cell volume: 14453 ± 2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1724
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.3155
• 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: Yes
• Has Fobs: No