Information card for entry 7124161

Structure parameters

• Formula: C36 H32 S3
• Calculated formula: C36 H32 S3
• Title of publication: Self-sorting in dynamic disulfide assembly: new biphenyl-bridged “nanohoops” and unsymmetrical cyclophanes
• Authors of publication: Phan, Ngoc-Minh; Choy, Emma P. K. L.; Zakharov, Lev N.; Johnson, Darren W.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.9598 ± 0.0003 Å
• b: 12.9349 ± 0.0007 Å
• c: 37.287 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2874.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No