Information card for entry 1552051

Structure parameters

• Formula: C34 H14 Br4 N4
• Calculated formula: C34 H14 Br4 N4
• SMILES: c12cc(ccc1c1c(c3c2nc2c(n3)cc3nc4c5cc(ccc5c5ccc(Br)cc5c4nc3c2)Br)cc(cc1)Br)Br
• Title of publication: A two-dimensional conjugated aromatic polymer via C-C coupling reaction
• Authors of publication: Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 9
• Pages of publication: 563 - 570
• a: 11.2408 ± 0.001 Å
• b: 4.6467 ± 0.0004 Å
• c: 25.9293 ± 0.0019 Å
• α: 90°
• β: 99.857 ± 0.005°
• γ: 90°
• Cell volume: 1334.36 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0532
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No