Information card for entry 4021278

Structure parameters

• Formula: C9 H8 Br I O Se
• Calculated formula: C9 H8 Br I O Se
• SMILES: IC(=C[Se]c1ccc(Br)cc1)CO
• Title of publication: Studies on the Regio- and Stereoselectivity of Halohydroxylation of 1,2-Allenyl Sulfides or Selenides
• Authors of publication: Shengming Ma; Xueshi Hao; Xiaofeng Meng; Xian Huang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5720 - 5724
• a: 11.6887 ± 0.0017 Å
• b: 4.4071 ± 0.0007 Å
• c: 12.1232 ± 0.0018 Å
• α: 90°
• β: 110.23 ± 0.002°
• γ: 90°
• Cell volume: 585.98 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No