Information card for entry 7152520

Structure parameters

• Chemical name: Fmoc-Ala-(R)-MeSer(psipro)-Ala-OtBu
• Formula: C60 H74 N6 O14
• Calculated formula: C60 H74 N6 O14
• Title of publication: 4-Methylpseudoproline derived from α-methylserine - synthesis and conformational studies.
• Authors of publication: Katarzyńska, Joanna; Mazur, Adam; Wolf, Wojciech M.; Teat, Simon J.; Jankowski, Stefan; Leplawy, Mirosław T; Zabrocki, Janusz
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 6705 - 6716
• a: 38.885 ± 0.002 Å
• b: 7.5009 ± 0.0004 Å
• c: 24.1696 ± 0.0013 Å
• α: 90°
• β: 123.084 ± 0.002°
• γ: 90°
• Cell volume: 5906.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No