Information card for entry 4023640

Structure parameters

• Common name: Boc-Aib-Gpn-Aib-Gpn-NHMe
• Formula: C32.25 H59 N5 O7.25
• Calculated formula: C32.25 H59 N5 O7.25
• Title of publication: Multiple Conformational States in Crystals and in Solution in αγ Hybrid Peptides. Fragility of the C~12~ Helix in Short Sequences
• Authors of publication: Sunanda Chatterjee; Prema G. Vasudev; Kuppanna Ananda; Srinivasarao Raghothama; Narayanaswamy Shamala; Padmanabhan Balaram
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6595 - 6606
• a: 14.4622 ± 0.001 Å
• b: 13.1789 ± 0.0009 Å
• c: 20.3222 ± 0.0015 Å
• α: 90°
• β: 105.416 ± 0.001°
• γ: 90°
• Cell volume: 3734 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No