Information card for entry 1505761

Structure parameters

• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• SMILES: O=N(=O)c1ccc(cc1)/C=C/C=C/C=C/c1ccc(OCCCC)cc1
• 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: 8.0445 ± 0.0009 Å
• b: 8.5236 ± 0.0009 Å
• c: 14.1707 ± 0.0015 Å
• α: 74.95 ± 0.002°
• β: 82.264 ± 0.002°
• γ: 77.374 ± 0.002°
• Cell volume: 912.51 ± 0.17 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No