Information card for entry 4029384

Structure parameters

• Formula: C34 H38 N2 O
• Calculated formula: C34 H38 N2 O
• SMILES: c1(ccc(cc1)N(C)C)[C@@H]1[C@@H](c2ccc(cc2)C)[C@H]([C@H](c2ccc(cc2)N(C)C)O1)c1ccc(cc1)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: 45.341 ± 0.003 Å
• b: 6.3267 ± 0.0004 Å
• c: 19.1637 ± 0.001 Å
• α: 90°
• β: 94.165 ± 0.003°
• γ: 90°
• Cell volume: 5482.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.191
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No