Information card for entry 7133897

Structure parameters

• Formula: C76 H56 O4
• Calculated formula: C76 H56 O4
• 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: 12.1839 ± 0.0009 Å
• b: 13.885 ± 0.001 Å
• c: 16.4844 ± 0.0012 Å
• α: 91.638 ± 0.002°
• β: 102.362 ± 0.002°
• γ: 91.987 ± 0.002°
• Cell volume: 2720.6 ± 0.3 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1905
• 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