Information card for entry 7246983

Structure parameters

• Common name: 2,3,3',4'-tetramethoxy-trans-stilbene
• Chemical name: (E)-1-(3,4-dimethoxystyryl)-2,3-dimethoxybenzene
• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• SMILES: O(c1ccc(cc1OC)/C=C/c1c(OC)c(OC)ccc1)C
• Title of publication: Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy-<i>trans</i>-stilbene - a chemopreventive agent.
• Authors of publication: Pajzderska, Aleksandra; Wierzchowski, Marcin; Łażewski, Dawid; Gielara-Korzańska, Agnieszka; Korzański, Artur; Popenda, Łukasz; Jenczyk, Jacek; Juranyi, Fanni; Embs, Jan P.; Wąsicki, Jan
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 27
• Pages of publication: 18481 - 18494
• a: 5.214 ± 0.0002 Å
• b: 23.4393 ± 0.0008 Å
• c: 25.016 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3057.27 ± 0.19 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No