Information card for entry 1549069

Structure parameters

• Formula: C116 H103 F3 O4 S
• Calculated formula: C116 H103 F3 O4 S
• SMILES: C1(=O)c2c3c4c5c6c1cccc6c1c6c5c5c7c4c4c(c3ccc2)cc(cc4c2ccc3c(c72)c2c5c(c6cc(c1)C(C)(C)C)c1c4c2c2c3c(cc3c2c2c4c4c5c1cc(cc5c1c5c4c4c2c2c3cc(cc2c2c4c(c5cc(c1)C(C)(C)C)cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)OS(=O)(=O)C(F)(F)F)C(C)(C)C.CCCCCC.CCCCCC
• Title of publication: Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.
• Authors of publication: Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 3917 - 3924
• a: 14.3675 ± 0.0008 Å
• b: 17.3718 ± 0.0011 Å
• c: 18.9206 ± 0.0012 Å
• α: 67.525 ± 0.003°
• β: 86.143 ± 0.003°
• γ: 89.598 ± 0.003°
• Cell volume: 4352.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No