Information card for entry 7133531

Structure parameters

• Formula: C56 H41 N5 O2
• Calculated formula: C56 H41 N5 O2
• Title of publication: Thiophene assisted cellular uptake enhancement for highly efficient NIR-II cancer phototheranostics.
• Authors of publication: Zhang, Yue; Yu, Jia; Li, Chunbin; Gong, Jianye; Wu, Yifan; Feng, Lina; Chen, Zihan; Sha, Renmanduhu; Jiang, Guoyu; Wang, Jianguo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 73
• Pages of publication: 9942 - 9945
• a: 10.17742 ± 0.00009 Å
• b: 14.91873 ± 0.00016 Å
• c: 17.25327 ± 0.00019 Å
• α: 67.1553 ± 0.001°
• β: 86.4455 ± 0.0008°
• γ: 80.1926 ± 0.0008°
• Cell volume: 2378.85 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No