Information card for entry 7152047

Structure parameters

• Chemical name: (E)-1-((E)-3-(4-nitrophenyl)allylidene)- 3,4-dihydronaphthalen-2(1H)-one
• Formula: C19 H15 N O3
• Calculated formula: C19 H15 N O3
• SMILES: c1(ccc(cc1)/C=C/C=C1\c2ccccc2CCC1=O)N(=O)=O
• Title of publication: Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.
• Authors of publication: Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 7510 - 7516
• a: 7.5097 ± 0.0005 Å
• b: 14.8345 ± 0.001 Å
• c: 27.016 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3009.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No