Information card for entry 4020470

Structure parameters

• Formula: C14 H13 I O4
• Calculated formula: C14 H13 I O4
• SMILES: I[C@]12C[C@]1(C(=O)O[C@H]2Cc1ccccc1)C(=O)OC.I[C@@]12C[C@@]1(C(=O)O[C@@H]2Cc1ccccc1)C(=O)OC
• Title of publication: An Efficient Stereoselective Synthesis of 4,5-trans-1,5-cis-3-Oxabicyclo[3.1.0]hexan-2-ones via the Iodolactonization of Alkylidenecyclopropyl Esters
• Authors of publication: Shengming Ma; Lianghua Lu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7629 - 7633
• a: 11.1268 ± 0.0011 Å
• b: 11.8072 ± 0.0012 Å
• c: 13.0058 ± 0.0013 Å
• α: 112.48 ± 0.002°
• β: 108.985 ± 0.002°
• γ: 97.156 ± 0.002°
• Cell volume: 1431 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No