Information card for entry 7220061

Structure parameters

• Formula: C24 H26 N4 O3
• Calculated formula: C24 H26 N4 O3
• SMILES: O=C(NC(C)(C)C)C1N(C(=O)C=Cn2nc3c(cccc3)c12)Cc1ccc(OC)cc1
• Title of publication: Supported gold nanoparticles as efficient and reusable heterogeneous catalyst for cycloisomerization reactions
• Authors of publication: Schröder, Felix; Ojeda, Manuel; Erdmann, Nico; Jacobs, Jeroen; Luque, Rafael; Noël, Timothy; Van Meervelt, Luc; Van der Eycken, Johan; Van der Eycken, Erik V.
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 3314
• a: 6.6676 ± 0.0007 Å
• b: 7.3731 ± 0.0007 Å
• c: 21.962 ± 0.003 Å
• α: 98.895 ± 0.009°
• β: 91.912 ± 0.009°
• γ: 99.057 ± 0.008°
• Cell volume: 1051.5 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No