Information card for entry 7133895

Structure parameters

• Formula: C34 H20
• Calculated formula: C34 H20
• 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: 9.8987 ± 0.0007 Å
• b: 21.3915 ± 0.0015 Å
• c: 20.2646 ± 0.0015 Å
• α: 90°
• β: 96.076 ± 0.003°
• γ: 90°
• Cell volume: 4266.9 ± 0.5 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No