Information card for entry 7203439

Structure parameters

• Common name: (E,E)-2-(4-Methoxybenzylidene)-6-(4- nitrobenzylidene)cyclohexanone
• Chemical name: (E,E)-2-(4-Methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone
• Formula: C21 H19 N O4
• Calculated formula: C21 H19 N O4
• SMILES: O(c1ccc(cc1)/C=C/1CCCC(=C\c2ccc(cc2)N(=O)=O)/C1=O)C
• Title of publication: A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones
• Authors of publication: Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Green Chemistry
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 1042
• a: 7.8646 ± 0.0003 Å
• b: 9.683 ± 0.0003 Å
• c: 11.3746 ± 0.0005 Å
• α: 95.587 ± 0.001°
• β: 102.801 ± 0.001°
• γ: 91.992 ± 0.002°
• Cell volume: 839.25 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No