Information card for entry 7220533

Structure parameters

• Formula: C8 H2 Cl2 O4 Zn
• Calculated formula: C8 H2 Cl2 O4 Zn
• Title of publication: The Biginelli Reaction under Batch and Continuous Flow Conditions: Catalysis, Mechanism and Antitumoral Activity
• Authors of publication: Neto, Brenno A. D.; Silva, Gabriel C.O.; Corrêa, José; Rodrigues, marcelo Oliveira; Alvim, Haline G. O.; Guido, Bruna C.; Gatto, Claudia C.; Wanderley, Kaline; Fioramonte, Mariana; Gozzo, Fabio Cesar; de Souza, Rodrigo Octavio M. A.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.9914 ± 0.0004 Å
• b: 7.1576 ± 0.0002 Å
• c: 7.4801 ± 0.0002 Å
• α: 90°
• β: 99.014 ± 0.001°
• γ: 90°
• Cell volume: 898.48 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No