Information card for entry 1534131

Structure parameters

• Formula: C64 H54 B2 O4
• Calculated formula: C64 H54 B2 O4
• SMILES: O(c1c2cc3c4c5c2c(cc1)c1c2c(c6c7c1B5c1c(c5ccccc5c5c1B7c1c7c6ccc(OCCCC)c7cc6c(OCCCC)ccc5c16)c4ccc3OCCCC)cccc2)CCCC
• 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: 7.553 ± 0.005 Å
• b: 12.357 ± 0.007 Å
• c: 12.549 ± 0.008 Å
• α: 83.18 ± 0.04°
• β: 74.39 ± 0.02°
• γ: 84.51 ± 0.04°
• Cell volume: 1117.6 ± 1.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1813
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No