Information card for entry 1568087

Structure parameters

• Formula: C33 H29 Au N O2 P
• Calculated formula: C33 H29 Au N O2 P
• SMILES: [Au](OC(=O)c1c(Nc2c(c(ccc2)C)C)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
• Authors of publication: Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 557 - 565
• a: 8.686 ± 0.0018 Å
• b: 10.558 ± 0.002 Å
• c: 15.503 ± 0.003 Å
• α: 80.834 ± 0.003°
• β: 74.403 ± 0.004°
• γ: 89.873 ± 0.004°
• Cell volume: 1350.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No