Information card for entry 7153593

Structure parameters

• Formula: C22 H18 O3
• Calculated formula: C22 H18 O3
• SMILES: O=C1Oc2ccc(C)cc2c2c1c(O)c(C)c(c2)c1ccc(C)cc1
• Title of publication: An advanced and novel one-pot synthetic method for diverse benzo[c]chromen-6-ones by transition-metal free mild base-promoted domino reactions of substituted 2-hydroxychalcones with β-ketoesters and its application to polysubstituted terphenyls.
• Authors of publication: Poudel, Tej Narayan; Lee, Yong Rok
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 919 - 930
• a: 10.8607 ± 0.0014 Å
• b: 11.4179 ± 0.0014 Å
• c: 15.2714 ± 0.0019 Å
• α: 83.181 ± 0.003°
• β: 80.292 ± 0.003°
• γ: 61.859 ± 0.002°
• Cell volume: 1644.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No