Information card for entry 4029400

Structure parameters

• Formula: C32 H26 F6 O3
• Calculated formula: C32 H26 F6 O3
• SMILES: FC(c1ccc([C@H]2[C@@H](c3ccc(cc3)C(F)(F)F)[C@H](c3ccc(cc3)OC)O[C@@H]2c2ccc(cc2)OC)cc1)(F)F
• Title of publication: Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.
• Authors of publication: Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 10
• Pages of publication: 4528 - 4543
• a: 10.7473 ± 0.001 Å
• b: 24.594 ± 0.002 Å
• c: 10.5723 ± 0.0011 Å
• α: 90°
• β: 107.995 ± 0.006°
• γ: 90°
• Cell volume: 2657.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1389
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2258
• 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