Information card for entry 1502263

Structure parameters

• Formula: C46 H34 O2
• Calculated formula: C46 H34 O2
• SMILES: O=C(/C=C(C(=C/C=C(c1ccccc1)\C(=C/C(=O)c1ccccc1)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1
• Title of publication: Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.
• Authors of publication: Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 3608 - 3611
• a: 12.969 ± 0.004 Å
• b: 8.948 ± 0.002 Å
• c: 15.068 ± 0.004 Å
• α: 90°
• β: 93.586 ± 0.006°
• γ: 90°
• Cell volume: 1745.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No