Information card for entry 7159010

Structure parameters

• Formula: C35 H60 N4 O7
• Calculated formula: C35 H60 N4 O7
• SMILES: O=C(N[C@H](C)[C@@H]1[C@@H]([C@H](C(=O)N[C@@H]([C@@H]2[C@@H]([C@H](C(=O)OC)C)C2)C)C)C1)[C@@H]([C@@H]1[C@@H]([C@H](NC(=O)[C@@H]([C@@H]2[C@@H]([C@H](NC(=O)C)C)C2)C)C)C1)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: 9.5195 ± 0.0002 Å
• b: 9.5196 ± 0.0002 Å
• c: 11.9808 ± 0.0003 Å
• α: 104.374 ± 0.007°
• β: 96.543 ± 0.007°
• γ: 109.84 ± 0.008°
• Cell volume: 965.62 ± 0.09 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 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: 0.0404
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No