Information card for entry 7055931

Structure parameters

• Formula: C30 H28 Au Br N2 O4
• Calculated formula: C30 H28 Au Br N2 O4
• SMILES: [Au](Br)=C1N(CCCOc2cc3OC(c4ccccc4)=CC(=O)c3c(c2)O)C=CN1c1c(C)cc(C)cc1C
• Title of publication: Chrysin functionalized NHC‒Au(i) complexes: synthesis, characterization and effects on the nematode Caenorhabditis elegans
• Authors of publication: Rendón-Nava, David; Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo E.; Téllez-Arreola, José Luis; Martínez-Torres, Ataúlfo; Valdez-Calderón, Alejandro; González-Montiel, Simplicio
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 2013
• a: 8.2203 ± 0.0003 Å
• b: 17.0001 ± 0.0007 Å
• c: 21.4579 ± 0.0008 Å
• α: 72.425 ± 0.004°
• β: 85 ± 0.003°
• γ: 84.651 ± 0.003°
• Cell volume: 2840.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No