Information card for entry 7133532

Structure parameters

• Formula: C52 H37 N5 O2 S2
• Calculated formula: C52 H37 N5 O2 S2
• 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: 11.5451 ± 0.0004 Å
• b: 13.6561 ± 0.0005 Å
• c: 16.0395 ± 0.0006 Å
• α: 103.103 ± 0.001°
• β: 101.611 ± 0.001°
• γ: 109.468 ± 0.001°
• Cell volume: 2214.12 ± 0.14 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0762
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No