Information card for entry 4029409

Structure parameters

• Formula: C30 H24 N2 O6
• Calculated formula: C30 H24 N2 O6
• SMILES: c12ccc(cc1[C@@H](c1ccc(cc1)OC)[C@@H](C(=C2)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)OC.c12ccc(cc1[C@H](c1ccc(cc1)OC)[C@H](C(=C2)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)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: 21.8582 ± 0.0009 Å
• b: 11.2916 ± 0.0005 Å
• c: 20.2879 ± 0.0008 Å
• α: 90°
• β: 99.753 ± 0.003°
• γ: 90°
• Cell volume: 4935 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0947
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No