Information card for entry 1512174

Structure parameters

• Formula: C24 H21 N O5 S
• Calculated formula: C24 H21 N O5 S
• SMILES: S(=O)(=O)(N=C1Oc2c(C=C1COc1ccc(OC)cc1)cccc2)c1ccc(cc1)C
• Title of publication: Novel copper-catalyzed multicomponent cascade synthesis of iminocoumarin aryl methyl ethers.
• Authors of publication: Murugavel, Govindarasu; Punniyamurthy, Tharmalingam
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3828 - 3831
• a: 9.2829 ± 0.0009 Å
• b: 11.152 ± 0.0011 Å
• c: 20.559 ± 0.002 Å
• α: 90°
• β: 91.176 ± 0.009°
• γ: 90°
• Cell volume: 2127.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No