Information card for entry 7133071

Structure parameters

• Chemical name: YC2-9-no-SS
• Formula: C11 H17 N O S2
• Calculated formula: C11 H17 N O S2
• SMILES: C1(=O)CCCSSCC23CCC(CC2)N13
• Title of publication: Complete amide <i>cis</i>-<i>trans</i> switching synchronized with disulfide bond formation and cleavage in a proline-mimicking system.
• Authors of publication: Cheng, Yuhe; Hyodo, Tadashi; Yamaguchi, Kentaro; Ohwada, Tomohiko; Otani, Yuko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 48
• Pages of publication: 6158 - 6161
• a: 15.8974 ± 0.0017 Å
• b: 7.835 ± 0.0008 Å
• c: 9.4791 ± 0.001 Å
• α: 90°
• β: 100.682 ± 0.001°
• γ: 90°
• Cell volume: 1160.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No