Information card for entry 4021038

Structure parameters

• Formula: C16 H22 O3 Se
• Calculated formula: C16 H22 O3 Se
• SMILES: [Se](C([C@@H]1CC[C@@H](O)[C@H]1C(=O)OC)(C)C)c1ccccc1
• Title of publication: Et~2~AlCl-Promoted Asymmetric Phenylseleno Group Transfer Radical Cyclization Reactions of Unsaturated β-Hydroxy Esters
• Authors of publication: Dan Yang; Qiang Gao; Bao-Fu Zheng; Nian-Yong Zhu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8821 - 8828
• a: 6.28 ± 0.001 Å
• b: 10.367 ± 0.002 Å
• c: 24.434 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1590.8 ± 0.5 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No