Information card for entry 4100574

Structure parameters

• Formula: C16 H20 I N O3
• Calculated formula: C16 H20 I N O3
• SMILES: Ic1c(N([C@@H](C(C)C)C(=O)OC)C(=O)C=C)ccc(c1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.7703 ± 0.0008 Å
• b: 12.6055 ± 0.0012 Å
• c: 9.0914 ± 0.0009 Å
• α: 90°
• β: 118.124 ± 0.002°
• γ: 90°
• Cell volume: 886.42 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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