Information card for entry 7028989

Structure parameters

• Chemical name: [PPh4][Au{C?CCH2O-7-(prop-2-in-1-yloxy)-1-benzopyran-2-one}2]
• Formula: C48 H34 Au O6 P
• Calculated formula: C48 H34 Au O6 P
• SMILES: [Au](C#CCOc1ccc2ccc(=O)oc2c1)C#CCOc1ccc2c(oc(=O)cc2)c1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Luminescent alkynyl-gold(i) coumarin derivatives and their biological activity.
• Authors of publication: Arcau, Julià; Andermark, Vincent; Aguiló, Elisabet; Gandioso, Albert; Moro, Artur; Cetina, Mario; Lima, João Carlos; Rissanen, Kari; Ott, Ingo; Rodríguez, Laura
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4426 - 4436
• a: 10.4254 ± 0.0003 Å
• b: 12.805 ± 0.0003 Å
• c: 14.7713 ± 0.0004 Å
• α: 98.028 ± 0.002°
• β: 103.649 ± 0.002°
• γ: 95.056 ± 0.002°
• Cell volume: 1882.38 ± 0.09 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.0236
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No