Information card for entry 7054661

Structure parameters

• Formula: C11 H21 N O11 Zn
• Calculated formula: C11 H21 N O11 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: 7.0755 ± 0.0002 Å
• b: 11.1714 ± 0.0003 Å
• c: 12.1991 ± 0.0004 Å
• α: 73.152 ± 0.001°
• β: 82.48 ± 0.0009°
• γ: 72.042 ± 0.001°
• Cell volume: 877 ± 0.05 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: 0.0537
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No