Information card for entry 2222320

Structure parameters

• Chemical name: (<i>S</i>)-Methyl 2-[(3<i>R</i>,4<i>R</i>)-2-benzyl-3-(2-furyl)-1-oxo-1,2,3,4- tetrahydroisoquinoline-4-carboxamido]-3-(1<i>H</i>-indol-3-yl)propanoate
• Formula: C33 H29 N3 O5
• Calculated formula: C33 H29 N3 O5
• Title of publication: (<i>S</i>)-Methyl 2-[(3<i>R</i>,4<i>R</i>)-2-benzyl-3-(2-furyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamido]-3-(1<i>H</i>-indol-3-yl)propanoate
• Authors of publication: Baktır, Zeliha; Akkurt, Mehmet; Kandinska, Meglena I.; Bogdanov, Milen G.; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1461 - o1462
• a: 8.6866 ± 0.0005 Å
• b: 15.863 ± 0.0007 Å
• c: 10.548 ± 0.0006 Å
• α: 90°
• β: 104.543 ± 0.005°
• γ: 90°
• Cell volume: 1406.9 ± 0.13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes