Information card for entry 4131163

Structure parameters

• Chemical name: 4-(6,11-dibromo-1,4-diphenyl-3-(thiophen-3-yl)triphenylen-2-yl)pyridine
• Formula: C39 H23 Br2 N S
• Calculated formula: C39 H23 Br2 N S
• Title of publication: Synthesis of Graphene Nanoribbons by Ambient-Pressure Chemical Vapor Deposition and Device Integration.
• Authors of publication: Chen, Zongping; Zhang, Wen; Palma, Carlos-Andres; Lodi Rizzini, Alberto; Liu, Bilu; Abbas, Ahmad; Richter, Nils; Martini, Leonardo; Wang, Xiao-Ye; Cavani, Nicola; Lu, Hao; Mishra, Neeraj; Coletti, Camilla; Berger, Reinhard; Klappenberger, Florian; Kläui, Mathias; Candini, Andrea; Affronte, Marco; Zhou, Chongwu; De Renzi, Valentina; Del Pennino, Umberto; Barth, Johannes V.; Räder, Hans Joachim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 47
• Pages of publication: 15488 - 15496
• a: 9.8233 ± 0.0003 Å
• b: 24.3526 ± 0.001 Å
• c: 13.3575 ± 0.0004 Å
• α: 90°
• β: 107.704 ± 0.002°
• γ: 90°
• Cell volume: 3044.09 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No