Information card for entry 7133898

Structure parameters

• Formula: C32 H20 O2 S2
• Calculated formula: C32 H20 O2 S2
• Title of publication: Serendipitous Synthesis of Phenanthrene Derivatives by Exploiting Electrocyclization During Thermolysis of Diels-Alder Intermediate Dihydro Dibenzothiophene S, S-dioxides
• Authors of publication: Mohanakrishnan, Arasambattu K.; Divya Bharathi, Kabali
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 12.8414 ± 0.0007 Å
• b: 18.5591 ± 0.0011 Å
• c: 10.0685 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2399.6 ± 0.2 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No