Information card for entry 4514749

Structure parameters

• Formula: C44 H40 N6 O10 Zn2
• Calculated formula: C44 H40 N6 O10 Zn2
• Title of publication: Design of a Primary-Amide-Functionalized Highly Efficient and Recyclable Hydrogen-Bond-Donating Heterogeneous Catalyst for the Friedel‒Crafts Alkylation of Indoles with β-Nitrostyrenes
• Authors of publication: Markad, Datta; Mandal, Sanjay K.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 3165
• a: 8.7707 ± 0.0009 Å
• b: 11.7137 ± 0.0012 Å
• c: 13.5892 ± 0.0012 Å
• α: 82.784 ± 0.003°
• β: 81.615 ± 0.003°
• γ: 88.403 ± 0.003°
• Cell volume: 1370.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No