Information card for entry 7160569

Structure parameters

• Formula: C37.56 H63.58 Cl3.67 N5 O8
• Calculated formula: C37.5676 H63.6112 Cl3.6592 N5 O8
• Title of publication: Crystallographic characterization of the 9/11-helix: a left-handed helix for 1 : 1 α/β-peptides containing L-α-amino acid residues.
• Authors of publication: Seo, Nuri; Kim, Yujin; Lee, Jieun; Kim, Jieun; Kang, Philjae; Guzei, Ilia A.; Lee, Ha-Jin; Choi, Soo Hyuk
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 6133 - 6137
• a: 11.974 ± 0.005 Å
• b: 13.462 ± 0.005 Å
• c: 16.117 ± 0.006 Å
• α: 94.77 ± 0.02°
• β: 103.893 ± 0.018°
• γ: 115.491 ± 0.018°
• Cell volume: 2224.3 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No