Information card for entry 1567797

Structure parameters

• Formula: C75 H61
• Calculated formula: C75 H61
• SMILES: Cc1c(c(cc(C)c1)C)c1c2c3c(c4c5c6c3c3c7c8c(c9c(c(cc5c(c5c(cc(cc5C)C)C)c5ccccc45)c68)cc(C(C)(C)C)cc9)ccc7c4ccc(C(C)(C)C)cc4c3c2)c2ccccc12.c1ccccc1
• Title of publication: Synthesis of Zigzag- and Fjord-Edged Nanographene with Dual Amplified Spontaneous Emission
• Authors of publication: Xu, Xiushang; Serra, Gianluca; Villa, Andrea; Muñoz-Mármol, Rafael; Vasylevskyi, Serhii; Gadea, Marcos; Lucotti, Andrea; Lin, Zesen; Boj, Pedro G.; Kabe, Ryota; Tommasini, Matteo; Diaz-Garcia, Maria Angeles; Scotognella, Francesco; Paternò, Giuseppe Maria; Narita, Akimitsu
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 18.1166 ± 0.0005 Å
• b: 19.1083 ± 0.0009 Å
• c: 19.7848 ± 0.001 Å
• α: 114.665 ± 0.005°
• β: 95.802 ± 0.003°
• γ: 90.221 ± 0.003°
• Cell volume: 6184.2 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.1181
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No