Information card for entry 1576660

Structure parameters

• Formula: C34 H30
• Calculated formula: C34 H30
• Title of publication: Efficient singlet fission in rubicene null aggregates.
• Authors of publication: Shi, Xiaomei; Chen, Xinyu; Huang, Yu; Liu, Zuyuan; Zhao, Bo; Yan, Lingpeng; Zhang, Teng-Shuo; Fu, Hongbing; Wang, Long
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 4168 - 4173
• a: 16.485 ± 0.002 Å
• b: 6.2347 ± 0.0007 Å
• c: 12.105 ± 0.0018 Å
• α: 90°
• β: 99.627 ± 0.013°
• γ: 90°
• Cell volume: 1226.6 ± 0.3 ų
• Cell temperature: 302.33 ± 0.1 K
• Ambient diffraction temperature: 302.33 ± 0.1 K
• Number of distinct elements: 2
• 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: 0.1033
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No