Information card for entry 1576900

Structure parameters

• Common name: DGR-OPh_200K
• Formula: C42.75 H36.5 B Cl0.75 N6 O13
• Calculated formula: C42.75 H36.5 B Cl0.75 N6 O13
• Title of publication: Subporphyrazine scaffolds as emerging electron acceptors for long-lived charge separation.
• Authors of publication: Krishna, Swathi; Cañizares-Espada, Elena; Guzmán, David; Bo, Yifan; Clark, Timothy; Torres, Tomás; Guldi, Dirk M.; Rodríguez-Morgade, M Salomé
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 5563 - 5575
• a: 41.747 ± 0.003 Å
• b: 7.8119 ± 0.0007 Å
• c: 30.271 ± 0.003 Å
• α: 90°
• β: 120.236 ± 0.003°
• γ: 90°
• Cell volume: 8529.1 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2174
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No