Information card for entry 1555383

Structure parameters

• Formula: C25 H24 N2 O2
• Calculated formula: C25 H24 N2 O2
• SMILES: O(C)c1ccc(C2c3ccc4ncccc4c3NC3=C2C(=O)CC(C3)(C)C)cc1
• Title of publication: Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.
• Authors of publication: Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5368 - 5371
• a: 17.188 ± 0.006 Å
• b: 9.172 ± 0.004 Å
• c: 13.025 ± 0.005 Å
• α: 90°
• β: 108.831 ± 0.008°
• γ: 90°
• Cell volume: 1943.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No