Information card for entry 7246290

Structure parameters

• Formula: C56 H44 F18.5 N4 P4
• Calculated formula: C56 H44 F24 N4 P4
• Title of publication: Host–guest binding of tetracationic cyclophanes to photodynamic agents inhibits posttreatment phototoxicity and maintains antitumour efficacy
• Authors of publication: Sun, Jian-Da; Liu, Yamin; Zhao, Zijian; Yu, Shang-Bo; Qi, Qiao-Yan; Zhou, Wei; Wang, Hui; Hu, Ke; Zhang, Dan-Wei; Li, Zhan-Ting
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2023
• a: 13.051 ± 0.004 Å
• b: 17.961 ± 0.01 Å
• c: 16.08 ± 0.004 Å
• α: 90°
• β: 110.553 ± 0.012°
• γ: 90°
• Cell volume: 3529 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.3273
• Weighted residual factors for all reflections included in the refinement: 0.3351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No