Information card for entry 7159362

Structure parameters

• Formula: C35 H21 N O2
• Calculated formula: C35 H21 N O2
• SMILES: O=C(c1c2nc3c(cc2c2c(c1)cccc2)c1ccccc1cc3C(=O)c1ccccc1)c1ccccc1
• 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: 7.2154 ± 0.0011 Å
• b: 12.0896 ± 0.0017 Å
• c: 27.443 ± 0.004 Å
• α: 90°
• β: 96.196 ± 0.004°
• γ: 90°
• Cell volume: 2379.9 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No