Information card for entry 4100578

Structure parameters

• Formula: C17 H22 I N O
• Calculated formula: C17 H22 I N O
• SMILES: Ic1c(N(C(=O)/C=C/C)C2CCCCC2)ccc(c1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.166 ± 0.002 Å
• b: 10.794 ± 0.003 Å
• c: 17.987 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1779.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No