Information card for entry 7154944

Structure parameters

• Formula: C26 H25 N O2
• Calculated formula: C26 H25 N O2
• SMILES: O=C1C2=C(N(Cc3ccccc3)C3=C(C2c2ccccc2)C(=O)CCC3)CCC1
• Title of publication: Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.
• Authors of publication: Sarkar, Rajib; Mukhopadhyay, Chhanda
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2706 - 2715
• a: 11.137 ± 0.003 Å
• b: 20.633 ± 0.005 Å
• c: 8.734 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2007 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No