Information card for entry 4034637

Structure parameters

• Formula: C34 H28 N0 O5
• Calculated formula: C34 H28 O5
• SMILES: OC1c2cc(OC)c(OC)cc2c2c(c3c(Cc4c3cccc4)c3c2cc(OC)c(OC)c3)c2c1cccc2
• Title of publication: Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.
• Authors of publication: Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 11
• Pages of publication: 7279 - 7290
• a: 14.3284 ± 0.0006 Å
• b: 16.2797 ± 0.0008 Å
• c: 21.9001 ± 0.001 Å
• α: 90°
• β: 92.092 ± 0.004°
• γ: 90°
• Cell volume: 5105.1 ± 0.4 ų
• Cell temperature: 100.2 ± 0.9 K
• Ambient diffraction temperature: 100.2 ± 0.9 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: 0.2598
• Residual factor for significantly intense reflections: 0.2366
• Weighted residual factors for significantly intense reflections: 0.5669
• Weighted residual factors for all reflections included in the refinement: 0.5761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No