Information card for entry 7227665

Structure parameters

• Formula: C22 H26
• Calculated formula: C22 H26
• SMILES: CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(C)(C)C
• Title of publication: Intramolecular oxidative cyclodehydrogenation route for the synthesis of strap-like conjugated polymers
• Authors of publication: Yang, Junwei; Huang, Wei; Lin, Tingting; Pan, Xiaoyong; Zhu, Haoyun; Huang, Yuli; Wang, Weizhi
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 10763
• a: 11.731 ± 0.004 Å
• b: 10.216 ± 0.004 Å
• c: 15.667 ± 0.006 Å
• α: 90°
• β: 96.915 ± 0.007°
• γ: 90°
• Cell volume: 1863.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.1394
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No