Information card for entry 4028957

Structure parameters

• Formula: C24 H27 N O3
• Calculated formula: C24 H27 N O3
• SMILES: C(/C=C1\C(=O)ON=C1c1ccccc1)=C1C=C(OC(=C1)C(C)(C)C)C(C)(C)C
• Title of publication: 4H-Pyran-4-ylidenes: Strong Proaromatic Donors for Organic Nonlinear Optical Chromophores
• Authors of publication: Andreu, Raquel; Carrasquer, Laura; Franco, Santiago; Garín, Javier; Orduna, Jesús; Martínez de Baroja, Natalia; Alicante, Raquel; Villacampa, Belén; Allain, Magali
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 17
• Pages of publication: 6647 - 6657
• a: 10.34 ± 0.001 Å
• b: 12.56 ± 0.001 Å
• c: 16.843 ± 0.002 Å
• α: 90°
• β: 91.12 ± 0.01°
• γ: 90°
• Cell volume: 2187 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No