Information card for entry 4029386

Structure parameters

• Formula: C34 H32 F6 N2 O
• Calculated formula: C34 H32 F6 N2 O
• SMILES: [C@@H]1(c2ccc(cc2)C(F)(F)F)[C@H](c2ccc(cc2)N(C)C)O[C@H](c2ccc(N(C)C)cc2)[C@H]1c1ccc(cc1)C(F)(F)F.[C@H]1(c2ccc(cc2)C(F)(F)F)[C@@H](c2ccc(cc2)N(C)C)O[C@@H](c2ccc(N(C)C)cc2)[C@@H]1c1ccc(cc1)C(F)(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: 34.0554 ± 0.0018 Å
• b: 9.9336 ± 0.0005 Å
• c: 23.0128 ± 0.0012 Å
• α: 90°
• β: 129.512 ± 0.003°
• γ: 90°
• Cell volume: 6006.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No