Information card for entry 4029410

Structure parameters

• Formula: C32 H24 N2 O2
• Calculated formula: C32 H24 N2 O2
• SMILES: c12cc(ccc1[C@@H](c1ccc(cc1)OC)[C@@H](C(=C2)c1ccc(cc1)C#N)c1ccc(cc1)C#N)OC.c12cc(ccc1[C@H](c1ccc(cc1)OC)[C@H](C(=C2)c1ccc(cc1)C#N)c1ccc(cc1)C#N)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: 9.5203 ± 0.0011 Å
• b: 23.024 ± 0.003 Å
• c: 11.6499 ± 0.0014 Å
• α: 90°
• β: 100.456 ± 0.003°
• γ: 90°
• Cell volume: 2511.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1614
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No