Information card for entry 7243033

Structure parameters

• Chemical name: 3-Methoxy-10,10-dimethyl-6,9,10,11-tetrahydrobenzo[c]acridin-8(5H)-one
• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• Title of publication: Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors
• Authors of publication: Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 14
• Pages of publication: 5113 - 5119
• a: 10.249 ± 0.003 Å
• b: 11.657 ± 0.004 Å
• c: 14.822 ± 0.004 Å
• α: 104.005 ± 0.008°
• β: 92.306 ± 0.008°
• γ: 109.243 ± 0.007°
• Cell volume: 1608.2 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No