Information card for entry 1555380

Structure parameters

• Formula: C22 H27 N3 O
• Calculated formula: C22 H27 N3 O
• SMILES: O=C1C2=C(Nc3ccc4[nH]ncc4c3C2C2CCCCC2)CC(C1)(C)C
• 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: 32.003 ± 0.003 Å
• b: 7.0392 ± 0.0007 Å
• c: 19.0154 ± 0.0019 Å
• α: 90°
• β: 120.399 ± 0.002°
• γ: 90°
• Cell volume: 3694.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1283
• 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