Information card for entry 7133899

Structure parameters

• Formula: C36 H24
• Calculated formula: C36 H24
• 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: 11.434 ± 0.008 Å
• b: 22.093 ± 0.018 Å
• c: 9.934 ± 0.009 Å
• α: 90°
• β: 96.97 ± 0.03°
• γ: 90°
• Cell volume: 2491 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No