Information card for entry 4038773

Structure parameters

• Formula: C14 H25 N3 O7
• Calculated formula: C14 H25 N3 O7
• Title of publication: Structure-Property Relationship Study of <i>N</i>-(Hydroxy)Peptides for the Design of Self-Assembled Parallel β-Sheets.
• Authors of publication: Richaud, Alexis D.; Roche, Stéphane P
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 19
• Pages of publication: 12329 - 12342
• a: 9.5051 ± 0.0018 Å
• b: 8.8409 ± 0.0018 Å
• c: 20.79 ± 0.004 Å
• α: 90°
• β: 90.242 ± 0.003°
• γ: 90°
• Cell volume: 1747 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No