Information card for entry 2205569

Structure parameters

• Chemical name: (E,E,E)-1,6-Bis(4-nitrophenyl)hexa-1,3,5-triene
• Formula: C18 H14 N2 O4
• Calculated formula: C18 H14 N2 O4
• SMILES: c1(ccc(cc1)/C=C/C=C/C=C/c1ccc(cc1)N(=O)=O)N(=O)=O
• Title of publication: (<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(4-nitrophenyl)hexa-1,3,5-triene
• Authors of publication: Yoriko Sonoda; Yuji Kawanishi; Midori Goto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1200 - o1202
• a: 3.871 ± 0.0004 Å
• b: 21.44 ± 0.002 Å
• c: 18.7091 ± 0.0019 Å
• α: 90°
• β: 95.555 ± 0.002°
• γ: 90°
• Cell volume: 1545.5 ± 0.3 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: 0.0585
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes