Information card for entry 2015829

Structure parameters

• Chemical name: (E,Z,E)-1-(4-n-butoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene
• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• SMILES: c1(ccc(cc1)/C=C/C=C\C=C\c1ccc(cc1)OCCCC)N(=O)=O
• Title of publication: Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes
• Authors of publication: Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o196 - o200
• a: 17.0571 ± 0.001 Å
• b: 6.7244 ± 0.0004 Å
• c: 17.2095 ± 0.001 Å
• α: 90°
• β: 105.884 ± 0.001°
• γ: 90°
• Cell volume: 1898.54 ± 0.19 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes