Information card for entry 4033593

Structure parameters

• Formula: C32 H24 O3
• Calculated formula: C32 H24 O3
• SMILES: c12c(cc(cc2)OC)c(c(c2c1Cc1c2cccc1)c1c(C=O)cccc1)c1ccc(OC)cc1
• 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: 10.8576 ± 0.0003 Å
• b: 13.0152 ± 0.0004 Å
• c: 17.4505 ± 0.0005 Å
• α: 104.015 ± 0.002°
• β: 97.067 ± 0.002°
• γ: 96.925 ± 0.002°
• Cell volume: 2345.28 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2121
• Residual factor for significantly intense reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.3583
• Weighted residual factors for all reflections included in the refinement: 0.4175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No