Information card for entry 7233335

Structure parameters

• Formula: C25 H31 N3 O6
• Calculated formula: C25 H31 N3 O6
• Title of publication: Formation of supramolecular single and double helix-like structures from designed tripeptides
• Authors of publication: Giri, Rajat Subhra; Mandal, Bhubaneswar
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 37
• Pages of publication: 5618
• a: 8.3294 ± 0.0006 Å
• b: 9.6074 ± 0.0007 Å
• c: 16.413 ± 0.0011 Å
• α: 86.861 ± 0.005°
• β: 84.758 ± 0.005°
• γ: 74.072 ± 0.006°
• Cell volume: 1257.12 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No