Information card for entry 1547843

Structure parameters

• Formula: C26 H22 F2 N2 O2
• Calculated formula: C26 H22 F2 N2 O2
• SMILES: Fc1c(c2cc(/C=C/c3cc4c(oc3=O)cc(N(CC)CC)cc4)ccn2)ccc(F)c1
• Title of publication: Achieving efficient photodynamic therapy under both normoxia and hypoxia using cyclometalated Ru(ii) photosensitizer through type I photochemical process.
• Authors of publication: Lv, Zhuang; Wei, Huanjie; Li, Qing; Su, Xianlong; Liu, Shujuan; Zhang, Kenneth Yin; Lv, Wen; Zhao, Qiang; Li, Xianghong; Huang, Wei
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 502 - 512
• a: 8.3521 ± 0.0017 Å
• b: 12.418 ± 0.002 Å
• c: 20.681 ± 0.004 Å
• α: 90°
• β: 97.923 ± 0.004°
• γ: 90°
• Cell volume: 2124.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No