Information card for entry 1503771

Structure parameters

• Formula: C24 H21 N O3 S
• Calculated formula: C24 H21 N O3 S
• SMILES: s1c2c(C[C@@]3(c4c(C(=O)N([C@H]23)Cc2ccccc2)cccc4)C(=O)OCC)cc1.s1c2c(C[C@]3(c4c(C(=O)N([C@@H]23)Cc2ccccc2)cccc4)C(=O)OCC)cc1
• Title of publication: Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines.
• Authors of publication: Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 815 - 818
• a: 9.1318 ± 0.0005 Å
• b: 12.3053 ± 0.0007 Å
• c: 17.1245 ± 0.001 Å
• α: 90°
• β: 93.359 ± 0.001°
• γ: 90°
• Cell volume: 1920.97 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No