Information card for entry 4029399

Structure parameters

• Formula: C34 H34
• Calculated formula: C34 H34
• SMILES: c1(ccc(cc1)C)[C@H]1[C@@H]2c3cc(cc(c3[C@@H](c3ccc(cc3)C)[C@@H]2c2cc(cc(c12)C)C)C)C.c1(ccc(cc1)C)[C@@H]1[C@H]2c3cc(cc(c3[C@H](c3ccc(cc3)C)[C@H]2c2cc(cc(c12)C)C)C)C
• 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: 12.3177 ± 0.0004 Å
• b: 14.2234 ± 0.0004 Å
• c: 16.6636 ± 0.0005 Å
• α: 84.729 ± 0.002°
• β: 73.553 ± 0.002°
• γ: 66.674 ± 0.003°
• Cell volume: 2570.47 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1812
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.699
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No