Information card for entry 7245752

Structure parameters

• Common name: Fmoc-b-cyclopropyl-(S)-Ala-OH
• Chemical name: (2S)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
• Formula: C13 H21 N O5
• Calculated formula: C13 H21 N O5
• Title of publication: Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds
• Authors of publication: Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.589 ± 0.002 Å
• b: 12.661 ± 0.003 Å
• c: 11.779 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1430 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No