Information card for entry 4029385

Structure parameters

• Formula: C33 H34 Cl2 O5
• Calculated formula: C33 H34 Cl2 O5
• SMILES: c1(ccc(cc1)OC)[C@H]1[C@H](c2ccc(cc2)OC)[C@@H]([C@@H](c2ccc(cc2)OC)O1)c1ccc(cc1)OC.C(Cl)Cl
• 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: 9.3084 ± 0.0009 Å
• b: 11.0123 ± 0.0011 Å
• c: 14.2584 ± 0.0014 Å
• α: 96.174 ± 0.002°
• β: 92.581 ± 0.001°
• γ: 96.04 ± 0.002°
• Cell volume: 1442.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No