Information card for entry 7125816

Structure parameters

• Formula: C24 H23 Cl N4 S
• Calculated formula: C24 H23 Cl N4 S
• Title of publication: cis alkenes stabilized by intramolecular sulphurπ interactions.
• Authors of publication: Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 814 - 817
• a: 7.9024 ± 0.0015 Å
• b: 9.4958 ± 0.0017 Å
• c: 15.018 ± 0.003 Å
• α: 78.986 ± 0.004°
• β: 87.8 ± 0.005°
• γ: 85.372 ± 0.005°
• Cell volume: 1102.3 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No