Information card for entry 7223220

Structure parameters

• Formula: C34 H46 Cu N4 O14
• Calculated formula: C34 H46 Cu N4 O14
• SMILES: c1cccc2C3(c4cccc[n]4[Cu]45([n]12)([OH]3)[n]1ccccc1C(c1cccc[n]41)(O)[OH]5)O.[O-]C(=O)C.O.O1CCOCC1.O1CCOCC1.O=C([O-])C.O
• Title of publication: Copper-catalyzed domino reaction to construct functionalized indolizinones
• Authors of publication: Wang, Li-Xia; hu, benquan; shen, gang; Tang, Yalin; Yang, Luo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 21.129 ± 0.004 Å
• b: 7.8255 ± 0.0016 Å
• c: 24.473 ± 0.005 Å
• α: 90°
• β: 114.46 ± 0.03°
• γ: 90°
• Cell volume: 3683.3 ± 1.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No