Information card for entry 4513859

Structure parameters

• Formula: C23 H26 O3
• Calculated formula: C23 H26 O3
• SMILES: O1C2=C(C(c3ccccc3)C3=C1CC(CC3=O)(C)C)C(=O)CC(C)(C2)C
• Title of publication: A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.
• Authors of publication: Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming
• Journal of publication: ACS combinatorial science
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 162 - 169
• a: 5.9268 ± 0.0013 Å
• b: 19.691 ± 0.005 Å
• c: 16.257 ± 0.004 Å
• α: 90°
• β: 97.006 ± 0.006°
• γ: 90°
• Cell volume: 1883.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No