Information card for entry 1552052

Structure parameters

• Formula: C34 H18 N4
• Calculated formula: C34 H18 N4
• SMILES: c12ccccc1c1ccccc1c1nc3c(nc21)cc1nc2c4c(c5c(cccc5)c2nc1c3)cccc4
• 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: 3.77 ± 0.0006 Å
• b: 16.615 ± 0.002 Å
• c: 17.088 ± 0.003 Å
• α: 90°
• β: 95.723 ± 0.006°
• γ: 90°
• Cell volume: 1065 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2791
• Weighted residual factors for all reflections included in the refinement: 0.3065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No