Information card for entry 1502261

Structure parameters

• Formula: C46 H36 O2
• Calculated formula: C46 H36 O2
• SMILES: O=C([C@@H](C[C@]1(C=C(C=C([C@@H]1C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O=C([C@H](C[C@@]1(C=C(C=C([C@H]1C(=O)c1ccccc1)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: 9.3604 ± 0.0005 Å
• b: 11.8162 ± 0.0006 Å
• c: 16.8778 ± 0.001 Å
• α: 96.449 ± 0.004°
• β: 100.349 ± 0.004°
• γ: 112.149 ± 0.004°
• Cell volume: 1667.34 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No