Information card for entry 1505682

Structure parameters

• Formula: C27 H25 Au N O5 P S
• Calculated formula: C27 H25 Au N O5 P S
• SMILES: [Au](Sc1ccc(N(=O)=O)cc1)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Inhibition of lysosomal cysteine proteases by a series of Au(I) complexes: a detailed mechanistic investigation.
• Authors of publication: Gunatilleke, Shamila S.; Barrios, Amy M.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2006
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 3933 - 3937
• a: 10.218 ± 0.0019 Å
• b: 12.489 ± 0.002 Å
• c: 12.62 ± 0.002 Å
• α: 106.208 ± 0.003°
• β: 112.512 ± 0.003°
• γ: 104.97 ± 0.003°
• Cell volume: 1302 ± 0.4 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No