Information card for entry 7054662

Structure parameters

• Formula: C15 H13 N O7 Zn
• Calculated formula: C15 H13 N O7 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: 5.2989 ± 0.0005 Å
• b: 15.3102 ± 0.0012 Å
• c: 19.3432 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1569.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No