Information card for entry 1502262

Structure parameters

• Formula: C58 H42 O2
• Calculated formula: C58 H42 O2
• SMILES: O1[C@@]2([C@@H]3C(=C([C@]1([C@@H]([C@@]3(C(=C2c1ccccc1)c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O1[C@]2([C@H]3C(=C([C@@]1([C@H]([C@]3(C(=C2c1ccccc1)c1ccccc1)c1ccccc1)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: 12.203 ± 0.002 Å
• b: 12.71 ± 0.003 Å
• c: 15.086 ± 0.003 Å
• α: 96.685 ± 0.013°
• β: 92.7 ± 0.013°
• γ: 114.363 ± 0.012°
• Cell volume: 2105.3 ± 0.8 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: 0.0989
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No