Information card for entry 1515629

Structure parameters

• Formula: C22 H16 Cl2
• Calculated formula: C22 H16 Cl2
• SMILES: Cl/C(=C\c1ccc(/C=C(Cl)/c2ccccc2)cc1)c1ccccc1
• Title of publication: A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes
• Authors of publication: Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 1850
• a: 6.24573 ± 0.00008 Å
• b: 7.2874 ± 0.0001 Å
• c: 37.2516 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1695.51 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No