Information card for entry 4133887

Structure parameters

• Formula: C36 H22 Br2
• Calculated formula: C36 H22 Br2
• Title of publication: On-Surface Synthesis and Characterization of a Cycloarene: C108 Graphene Ring.
• Authors of publication: Fan, Qitang; Martin-Jimenez, Daniel; Werner, Simon; Ebeling, Daniel; Koehler, Tabea; Vollgraff, Tobias; Sundermeyer, Jörg; Hieringer, Wolfgang; Schirmeisen, Andre; Gottfried, J. Michael
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 5.3541 ± 0.0002 Å
• b: 20.7114 ± 0.001 Å
• c: 23.3149 ± 0.001 Å
• α: 90°
• β: 90.828 ± 0.004°
• γ: 90°
• Cell volume: 2585.14 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.099
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No