Information card for entry 2017575

Structure parameters

• Common name: Boc^0^‒Gly^1^‒Δ^E^Phe^2^‒Gly^3^‒Δ^E^Phe^4^‒Gly^5^‒OH
• Chemical name: (<i>E</i>,<i>E</i>)-<i>N</i>-(<i>tert</i>- butoxycarbonyl)glycylphenylalanylglycylphenylalanylglycine
• Formula: C29 H33 N5 O8
• Calculated formula: C29 H33 N5 O8
• SMILES: O(C(C)(C)C)C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)=Cc1ccccc1)=Cc1ccccc1
• Title of publication: Two pentadehydropeptides with different configurations of the ΔPhe residues
• Authors of publication: Makowski, Maciej; Lisowski, Marek; Maciag, Anna; Wiktor, Maciej; Szlachcic, Anna; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o119 - o123
• a: 13.52 ± 0.006 Å
• b: 22.922 ± 0.0011 Å
• c: 9.795 ± 0.005 Å
• α: 90°
• β: 97.41 ± 0.05°
• γ: 90°
• Cell volume: 3010 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes