Information card for entry 2007997

Structure parameters

• Chemical name: (E)-2-Hydroxy-3,3',4'-trimethoxystilbene
• Formula: C17 H18 O4
• Calculated formula: C17 H18 O4
• SMILES: c1(cc(c(cc1)OC)OC)/C=C/c1c(c(ccc1)OC)O
• Title of publication: Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy
• Authors of publication: Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1929 - 1934
• a: 23.553 ± 0.0005 Å
• b: 5.3933 ± 0.0001 Å
• c: 22.9996 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2921.6 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.1096
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No