Information card for entry 2009885

Structure parameters

• Formula: C28 H28 N2 O5
• Calculated formula: C28 H28 N2 O5
• SMILES: COC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)Cc1ccccc1
• Title of publication: <i>N</i>-(<i>N</i>-Benzyloxycarbonyl-<small>L</small>-1,2,3,4-tetrahydroisoquinol-3-ylcarbonyl)-<small>L</small>-phenylalanine methyl ester, <i>Z</i>-<small>L</small>-Tic-<small>L</small>-Phe-OMe
• Authors of publication: Vitagliano, L.; Zagart, A.; Capasso, S.; Salvadori, S.; Baldoni, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1135 - 1138
• a: 6.866 ± 0.001 Å
• b: 13.492 ± 0.001 Å
• c: 26.334 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439.5 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 0.91
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No