Information card for entry 2008600

Structure parameters

• Formula: C26 H32 N2 O7
• Calculated formula: C26 H32 N2 O7
• SMILES: COC(=O)[C@@H](N1CCN([C@H](C1=O)Cc1ccc(cc1)O)C(=O)OC(C)(C)C)Cc1ccc(cc1)O
• Title of publication: <i>N</i>-<i>tert</i>-Butoxycarbonyl-<i>N</i>,<i>N</i>'-ethylene-bridged (<i>S</i>)-tyrosyl-(<i>S</i>)-tyrosine methyl ester
• Authors of publication: Kazuhiro Yamato; Hiroyuki Miyake; Ken Hirotsu; Yoshitane Kojima
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 1023 - 1025
• a: 9.641 ± 0.004 Å
• b: 10.251 ± 0.004 Å
• c: 13.893 ± 0.005 Å
• α: 90°
• β: 101 ± 0.03°
• γ: 90°
• Cell volume: 1347.8 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.962
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No