Information card for entry 2005785

Structure parameters

• Chemical name: (Z)-2-acetoxy-3,3',4'-trimethoxystilbene
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: c1(cc(c(cc1)OC)OC)/C=C\c1c(c(ccc1)OC)OC(=O)C
• Title of publication: (<i>Z</i>)-2-Acetoxy-3,3',4'-trimethoxystilbene
• Authors of publication: Li, S.; Lundquist, K.; Stomberg, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3118 - 3121
• a: 17.5555 ± 0.0011 Å
• b: 7.3717 ± 0.0007 Å
• c: 26.736 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3460 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1793
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1629
• Weighted residual factors for significantly intense reflections: 0.1035
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes