Information card for entry 1100378

Structure parameters

• Formula: C13 H15 I O3
• Calculated formula: C13 H15 I O3
• SMILES: C1(=O)OC[C@@](C)([C@@H]([C@H](C)c2ccccc2)I)O1.C1(=O)OC[C@](C)([C@H]([C@@H](C)c2ccccc2)I)O1
• Title of publication: A phenyl-assisted asymmetric iodolactonisation reaction
• Authors of publication: Hoffmann, Reinhard W.; Stürmer, Rainer; Harms, Klaus
• Journal of publication: Tetrahedron Letters
• Year of publication: 1994
• Journal volume: 35
• Journal issue: 34
• Pages of publication: 6263 - 6266
• a: 8.01 ± 0.001 Å
• b: 14.74 ± 0.002 Å
• c: 22.811 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2693.24 ų
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No