Information card for entry 2018218

Structure parameters

• Common name: (<i>E</i>)-3,4,5-trimethoxy-4'-nitrostilbene
• Chemical name: (<i>E</i>)-1-nitro-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
• Formula: C17 H17 N O5
• Calculated formula: C17 H17 N O5
• SMILES: c1(cc(c(c(c1)OC)OC)OC)/C=C/c1ccc(cc1)N(=O)=O
• Title of publication: (<i>E</i>)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues
• Authors of publication: Collas, Alain; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o364 - o369
• a: 10.459 ± 0.002 Å
• b: 12.88 ± 0.01 Å
• c: 14.021 ± 0.004 Å
• α: 90°
• β: 124.069 ± 0.015°
• γ: 90°
• Cell volume: 1564.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes