Information card for entry 1577331

Structure parameters

• Formula: C38 H22
• Calculated formula: C38 H22
• Title of publication: Linearly Acenaphthylene-Fused Pentacene Exhibiting Efficient Singlet Fission
• Authors of publication: Arvidson, Jacob; Shaikh, Saad; Tanaka, Masahiro; Pawale, Tejal; Dawson, Andrew; Li, Xiao; Nesterov, Vladimir; Kobori, Yasuhiro; Das, Somnath; Wang, Hong
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 5.21884 ± 0.00011 Å
• b: 8.77359 ± 0.00018 Å
• c: 26.1039 ± 0.0005 Å
• α: 90°
• β: 92.0277 ± 0.0018°
• γ: 90°
• Cell volume: 1194.5 ± 0.04 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No