Information card for entry 1505809

Structure parameters

• Formula: C19 H20 I N O5
• Calculated formula: C19 H24 I N O5
• SMILES: Ic1c(CC2N(CC(=CC2=O)OCC(C)C)C(=O)OC)cccc1OC
• Title of publication: Synthetic studies toward the haouamines.
• Authors of publication: Grundl, Marc A.; Trauner, Dirk
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 23 - 25
• a: 7.981 ± 0.001 Å
• b: 22.703 ± 0.004 Å
• c: 11.227 ± 0.002 Å
• α: 90°
• β: 92.995 ± 0.003°
• γ: 90°
• Cell volume: 2031.5 ± 0.6 ų
• Cell temperature: 163.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No