Information card for entry 7126336

Structure parameters

• Formula: C51 H60 Cl2 N8
• Calculated formula: C51 H60 Cl2 N8
• Title of publication: A water-soluble pyrazino[2,3-g]quinoxaline photosensitizer for high-efficiency one- and two-photon excited bioimaging and photodynamic therapy.
• Authors of publication: Zhang, Li-Peng; Li, Xianqiang; Liu, Tianlong; Kang, Lin; Huang, Xing; Zhao, Yuxia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 41
• Pages of publication: 5544 - 5547
• a: 21.9296 ± 0.0006 Å
• b: 9.847 ± 0.0003 Å
• c: 22.4505 ± 0.0007 Å
• α: 90°
• β: 109.159 ± 0.003°
• γ: 90°
• Cell volume: 4579.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.097
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2619
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No