Information card for entry 7125815

Structure parameters

• Formula: C23 H21 Cl N4 S
• Calculated formula: C23 H21 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: 14.7727 ± 0.0015 Å
• b: 7.6261 ± 0.0008 Å
• c: 19.442 ± 0.002 Å
• α: 90°
• β: 95.253 ± 0.002°
• γ: 90°
• Cell volume: 2181.1 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No