Information card for entry 7159361

Structure parameters

• Formula: C31 H17 N O2 S2
• Calculated formula: C31 H17 N O2 S2
• Title of publication: Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.
• Authors of publication: Ammon, Erich; Heine, Paul; Cordero, Miguel Andre Argüello; Lochbrunner, Stefan; Villinger, Alexander; Ehlers, Peter; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4504 - 4517
• a: 15.245 ± 0.004 Å
• b: 18.74 ± 0.005 Å
• c: 8.084 ± 0.002 Å
• α: 90°
• β: 100.44 ± 0.007°
• γ: 90°
• Cell volume: 2271.3 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No