Information card for entry 1505760

Structure parameters

• Formula: C19 H17 N O3
• Calculated formula: C19 H17 N O3
• SMILES: c1cc(ccc1/C=C/C=C/C=C/c1ccc(cc1)OC)N(=O)=O
• Title of publication: Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.
• Authors of publication: Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 50
• Pages of publication: 13379 - 13387
• a: 6.8991 ± 0.001 Å
• b: 7.2227 ± 0.0011 Å
• c: 31.435 ± 0.005 Å
• α: 93.322 ± 0.003°
• β: 93.237 ± 0.003°
• γ: 93.007 ± 0.003°
• Cell volume: 1558.8 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.1599
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No