Information card for entry 4126961

Structure parameters

• Common name: 2RAD_185
• Chemical name: fischer08
• Formula: C43 H26 Br2 Cl3 N
• Calculated formula: C43 H26 Br2 Cl3 N
• Title of publication: Orbitally Matched Edge-Doping in Graphene Nanoribbons.
• Authors of publication: Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 9.1436 ± 0.0006 Å
• b: 13.3703 ± 0.0008 Å
• c: 14.1905 ± 0.0008 Å
• α: 93.985 ± 0.002°
• β: 92.921 ± 0.003°
• γ: 94.285 ± 0.003°
• Cell volume: 1723.04 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No