Information card for entry 1576443

Structure parameters

• Formula: C36 H26 O4
• Calculated formula: C36 H26 O4
• Title of publication: Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.
• Authors of publication: Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 4942 - 4947
• a: 8.01237 ± 0.00013 Å
• b: 11.7893 ± 0.0002 Å
• c: 14.1489 ± 0.0003 Å
• α: 108.787 ± 0.0018°
• β: 98.5955 ± 0.0015°
• γ: 94.2027 ± 0.0015°
• Cell volume: 1240.52 ± 0.04 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No