Information card for entry 7159011

Structure parameters

• Formula: C38 H66 N4 O8
• Calculated formula: C38 H64 N4 O8
• SMILES: O(C)C(=O)[C@H](C)[C@H]1C[C@@H]1[C@H](NC(=O)[C@H](C)[C@H]1C[C@@H]1[C@H](NC(=O)[C@H](C)[C@H]1C[C@@H]1[C@H](NC(=O)[C@H](C)[C@H]1C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C)C)C)C.O
• Title of publication: Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.
• Authors of publication: Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 970 - 980
• a: 9.77455 ± 0.00019 Å
• b: 17.1488 ± 0.0003 Å
• c: 24.9042 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4174.49 ± 0.14 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No