Information card for entry 4513861

Structure parameters

• Formula: C23 H28 O4
• Calculated formula: C23 H28 O4
• SMILES: C(C1=C(CC(CC1=O)(C)C)O)(C1=C(CC(CC1=O)(C)C)O)c1ccccc1
• 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: 20.7124 ± 0.001 Å
• b: 20.7124 ± 0.001 Å
• c: 36.593 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15698.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No