Information card for entry 1567480

Structure parameters

• Formula: C48 H38 N6 O
• Calculated formula: C48 H38 N6 O
• SMILES: O1C(C(C#N)=C(C1(C)C)/C=C/c1c(n(c(c1)c1ccc(N(C)C)cc1)c1ccc2ccc3c4c2c1ccc4ccc3)c1ccc(N(C)C)cc1)=C(C#N)C#N
• Title of publication: An Acceptor-Shielding Strategy of Photosensitizer for Enhancing the Generation Efficiency of Type I Reactive Oxygen Species and the Related Photodynamic Immunotherapy
• Authors of publication: Qu, Jiamin; Zhang, Yahui; Cai, Zhengxu; Tong, Bin; Xie, Hai-Yan; Dong, Yuping; Shi, Jianbing
• Journal of publication: Nanoscale
• Year of publication: 2022
• a: 18.1467 ± 0.0015 Å
• b: 14.4007 ± 0.0013 Å
• c: 32.924 ± 0.003 Å
• α: 90°
• β: 95.169 ± 0.003°
• γ: 90°
• Cell volume: 8568.9 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No