Information card for entry 4126041

Structure parameters

• Formula: C351.35 H440.52 Cl12 N64.17 O73.75 S12
• Calculated formula: C351.34 H440.51 Cl12 N64.17 O73.75 S12
• 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: 16.2209 ± 0.0004 Å
• b: 16.867 ± 0.0005 Å
• c: 36.8707 ± 0.0009 Å
• α: 79.205 ± 0.002°
• β: 81.682 ± 0.001°
• γ: 88.126 ± 0.002°
• Cell volume: 9804.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No