Information card for entry 2018833

Structure parameters

• Chemical name: Dimethyl (3-{[<i>tert</i>-butoxycarbonylglycyl-α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}propyl)phosphonate
• Formula: C21 H32 N3 O7 P
• Calculated formula: C21 H32 N3 O7 P
• Title of publication: Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~
• Authors of publication: Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 277 - 281
• a: 8.597 ± 0.003 Å
• b: 18.023 ± 0.004 Å
• c: 15.852 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2456.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes