Information card for entry 4029406

Structure parameters

• Formula: C32 H32 O5
• Calculated formula: C32 H32 O5
• SMILES: c1(ccc(cc1)OC)[C@@H]1[C@@H](c2c(cccc2)OC)[C@@H]([C@@H](c2ccc(cc2)OC)O1)c1c(cccc1)OC.c1(ccc(cc1)OC)[C@H]1[C@H](c2c(cccc2)OC)[C@H]([C@H](c2ccc(cc2)OC)O1)c1c(cccc1)OC
• 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: 24.0553 ± 0.0006 Å
• b: 9.1097 ± 0.0002 Å
• c: 24.6742 ± 0.0006 Å
• α: 90°
• β: 98.351 ± 0.002°
• γ: 90°
• Cell volume: 5349.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.1181
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No