Information card for entry 2218681

Structure parameters

• Common name: roxburghin tetramethyl ether
• Chemical name: (<i>E</i>)-2,3',4,5-tetramethoxystilbene
• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• SMILES: O(c1c(OC)cc(OC)c(c1)/C=C/c1cc(OC)ccc1)C
• Title of publication: Semisynthetic roxburghin tetramethyl ether
• Authors of publication: Saez, Alex; Ramirez de Arellano, Carmen; El Aouad, Noureddine; Rodriguez, Silvia; Otalvaro, Felipe; Cortes, Diego; Saez, Jairo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1305
• a: 7.9633 ± 0.0004 Å
• b: 9.2454 ± 0.0005 Å
• c: 11.6194 ± 0.0005 Å
• α: 73.4 ± 0.002°
• β: 75.479 ± 0.003°
• γ: 70.335 ± 0.002°
• Cell volume: 760.59 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes