Information card for entry 1571921

Structure parameters

• Formula: C47 H34 Cl2 N4 O
• Calculated formula: C47 H34 Cl2 N4 O
• 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: 12.9051 ± 0.0005 Å
• b: 10.5743 ± 0.0005 Å
• c: 25.9985 ± 0.0013 Å
• α: 90°
• β: 95.55 ± 0.002°
• γ: 90°
• Cell volume: 3531.2 ± 0.3 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No