Information card for entry 2021872

Structure parameters

• Chemical name: (E)-2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene
• Formula: C17 H18 O4
• Calculated formula: C17 H18 O4
• SMILES: c1(c(c(cc(c1)C)OC)O)/C=C/c1cc(c(cc1)O)OC
• Title of publication: An investigation of 2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene using X-ray crystallography and NMR spectroscopy
• Authors of publication: Li, S.; Lundquist, K.; Stomberg, R.
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 1012
• a: 8.4341 ± 0.0001 Å
• b: 15.5112 ± 0.0003 Å
• c: 11.4293 ± 0.0001 Å
• α: 90°
• β: 90.397 ± 0.001°
• γ: 90°
• Cell volume: 1495.18 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No