Information card for entry 7160631

Structure parameters

• Formula: C29 H24 Cl2 O6 S
• Calculated formula: C29 H24 Cl2 O6 S
• Title of publication: Convenient one-step construction of fused or zwitterionic indanes from tetraynes.
• Authors of publication: Liu, Chencheng; Tong, Yao; Wang, Fenhua; Li, Qinghai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4909 - 4916
• a: 20.9343 ± 0.0011 Å
• b: 15.0713 ± 0.0008 Å
• c: 9.1726 ± 0.0005 Å
• α: 90°
• β: 93.192 ± 0.002°
• γ: 90°
• Cell volume: 2889.5 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0663
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No