Information card for entry 1571922

Structure parameters

• Formula: C93 H66 Cl2 N8 Se2
• Calculated formula: C93 H66 Cl2 N8 Se2
• Title of publication: Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.
• Authors of publication: Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11408 - 11417
• a: 13.9675 ± 0.001 Å
• b: 15.5987 ± 0.0011 Å
• c: 17.3739 ± 0.0013 Å
• α: 101.977 ± 0.003°
• β: 92.5 ± 0.003°
• γ: 105.115 ± 0.003°
• Cell volume: 3555.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0418
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No