Information card for entry 4029402

Structure parameters

• Formula: C30 H26 F2 O3
• Calculated formula: C30 H26 F2 O3
• SMILES: c1(ccc(cc1)OC)[C@@H]1[C@@H](c2ccc(cc2)F)[C@H](c2ccc(cc2)F)[C@@H](c2ccc(cc2)OC)O1.c1(ccc(cc1)OC)[C@H]1[C@H](c2ccc(cc2)F)[C@@H](c2ccc(cc2)F)[C@H](c2ccc(cc2)OC)O1
• 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: 20.42 ± 0.0008 Å
• b: 10.0168 ± 0.0004 Å
• c: 23.6874 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4845.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No