Information card for entry 1534132

Structure parameters

• Formula: C96 H118 B2 O4
• Calculated formula: C96 H118 B2 O4
• SMILES: B12c3c4c5ccccc5c5c3B3c6c(c7ccccc7c(c16)c1c6c2c2c(cc6c(cc1)OCCCCCCCCCCCC)c(ccc42)OCCCCCCCCCCCC)c1ccc(c2cc4c(c3c12)c5ccc4OCCCCCCCCCCCC)OCCCCCCCCCCCC
• Title of publication: Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance
• Authors of publication: Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 219
• a: 11.769 ± 0.012 Å
• b: 14.134 ± 0.013 Å
• c: 23.62 ± 0.02 Å
• α: 84.13 ± 0.03°
• β: 87.54 ± 0.02°
• γ: 84.78 ± 0.02°
• Cell volume: 3890 ± 6 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1791
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.2431
• Weighted residual factors for all reflections included in the refinement: 0.3144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No