Information card for entry 2216727

Structure parameters

• Common name: fpg
• Chemical name: Boc-Phe-D-Pro-Gly-OMe monohydrate
• Formula: C22 H33 N3 O7
• Calculated formula: C22 H33 N3 O7
• SMILES: C(OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](CCC1)C(=O)NCC(=O)OC)(C)(C)C.O
• Title of publication: β-Turn structure of a tripeptide <i>N</i>-(<i>tert</i>-butoxycarbonyl)-Phe-<small>D</small>-Pro-Gly methyl ester monohydrate
• Authors of publication: Doi, Mitsunobu; Ichimiya, Yuko; Asano, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4691 - o4691
• a: 9.0814 ± 0.0008 Å
• b: 11.6889 ± 0.001 Å
• c: 22.685 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2408 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes