Information card for entry 2008000

Structure parameters

• Chemical name: (Z)-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: 21.2854 ± 0.0001 Å
• b: 7.8608 ± 0.0001 Å
• c: 9.3555 ± 0.0002 Å
• α: 90°
• β: 100.229 ± 0.001°
• γ: 90°
• Cell volume: 1540.48 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for all reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.0708
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No