Information card for entry 4126043

Structure parameters

• Formula: C94 H121.5 Cl3 N15.5 O20.5 S3
• Calculated formula: C94 H121.5 Cl3 N15.5 O20.5 S3
• Title of publication: Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.
• Authors of publication: Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 21
• Pages of publication: 7363 - 7369
• a: 13.8067 ± 0.0003 Å
• b: 20.7486 ± 0.0005 Å
• c: 35.9788 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10306.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No