Information card for entry 4020227

Structure parameters

• Formula: C8 H8 Br I O3
• Calculated formula: C8 H8 Br I O3
• SMILES: I/C=C(C)/[C@H](O)[C@H]1OC(=O)C(=C1)Br.I/C=C(C)/[C@@H](O)[C@@H]1OC(=O)C(=C1)Br
• Authors of publication: Carlos Silva López; Rosana Álvarez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3654 - 3659
• a: 8.0985 ± 0.0012 Å
• b: 10.4719 ± 0.0016 Å
• c: 12.3827 ± 0.0019 Å
• α: 90°
• β: 90.47 ± 0.003°
• γ: 90°
• Cell volume: 1050.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No