Information card for entry 7054663

Structure parameters

• Formula: C15 H17 N O9 Zn
• Calculated formula: C15 H17 N O9 Zn
• Title of publication: Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction
• Authors of publication: Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 3004
• a: 8.9796 ± 0.0017 Å
• b: 10.1531 ± 0.0016 Å
• c: 10.6054 ± 0.0018 Å
• α: 89.721 ± 0.007°
• β: 77.398 ± 0.007°
• γ: 71.835 ± 0.006°
• Cell volume: 894.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No