Information card for entry 7237968

Structure parameters

• Formula: C96 H64
• Calculated formula: C96 H64
• Title of publication: Enhancing the intermolecular singlet fission efficiency by controlling the self-assembly of amphipathic tetracene derivatives in aqueous solution
• Authors of publication: Tang, Zhaofeng; Zhou, Sainan; Wang, Xiangyang; Liu, Heyuan; Yan, Xinyu; Liu, Shanshan; Lu, Xiaoqing; Li, Xiyou
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 36
• Pages of publication: 11090
• a: 13.3341 ± 0.0014 Å
• b: 14.3315 ± 0.0016 Å
• c: 17.3246 ± 0.0017 Å
• α: 101.642 ± 0.009°
• β: 90.149 ± 0.008°
• γ: 90.054 ± 0.009°
• Cell volume: 3242.6 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.3185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No