Information card for entry 4029414

Structure parameters

• Formula: C34 H32 F6 N2 O
• Calculated formula: C34 H32 F6 N2 O
• SMILES: FC(F)(F)c1ccc([C@@H]2[C@H](O[C@H](c3ccc(N(C)C)cc3)[C@H]2c2ccc(cc2)C(F)(F)F)c2ccc(N(C)C)cc2)cc1.FC(F)(F)c1ccc([C@H]2[C@@H](O[C@@H](c3ccc(N(C)C)cc3)[C@@H]2c2ccc(cc2)C(F)(F)F)c2ccc(N(C)C)cc2)cc1
• 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: 23.741 ± 0.0017 Å
• b: 8.7785 ± 0.0006 Å
• c: 28.77 ± 0.002 Å
• α: 90°
• β: 103.418 ± 0.005°
• γ: 90°
• Cell volume: 5832.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2451
• Residual factor for significantly intense reflections: 0.1234
• Weighted residual factors for significantly intense reflections: 0.2525
• Weighted residual factors for all reflections included in the refinement: 0.2941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No