Information card for entry 4514125

Structure parameters

• Formula: C42 H20 Br2 F4
• Calculated formula: C42 H20 Br2 F4
• Title of publication: Experimental and Theoretical Investigations of Surface-Assisted Graphene Nanoribbon Synthesis Featuring Carbon-Fluorine Bond Cleavage.
• Authors of publication: Hayashi, Hironobu; Yamaguchi, Junichi; Jippo, Hideyuki; Hayashi, Ryunosuke; Aratani, Naoki; Ohfuchi, Mari; Sato, Shintaro; Yamada, Hiroko
• Journal of publication: ACS nano
• Year of publication: 2017
• a: 17.18 ± 0.012 Å
• b: 17.286 ± 0.012 Å
• c: 17.24 ± 0.012 Å
• α: 90°
• β: 115.277 ± 0.009°
• γ: 90°
• Cell volume: 4630 ± 6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.1405
• Weighted residual factors for significantly intense reflections: 0.334
• Weighted residual factors for all reflections included in the refinement: 0.3615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No