Information card for entry 7160356

Structure parameters

• Formula: C56 H38 F6 O8 S4
• Calculated formula: C56 H36 F6.003 O8 S4
• Title of publication: Precise assembly/disassembly of homo-type and hetero-type macrocycles with photoresponsive and non-photoresponsive dynamic covalent bonds.
• Authors of publication: Deng, Junmiao; Lu, Hanwei; Ye, Hebo; Hai, Yu; Liu, Zimu; You, Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2498 - 2509
• a: 10.8235 ± 0.0003 Å
• b: 15.9748 ± 0.0005 Å
• c: 17.4694 ± 0.0005 Å
• α: 63.307 ± 0.003°
• β: 80.7 ± 0.002°
• γ: 87.091 ± 0.002°
• Cell volume: 2662.32 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No