Information card for entry 4516826

Structure parameters

• Formula: C168 H216 Au8 O16
• Calculated formula: C168 H216 Au8 O16
• SMILES: [Au]1[C]([Au]([C]([Au][C]([Au][C]1#C[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@H]2C(=CC(=O)CC2)CC1)CC)O)#C[C@@]1(O)[C@@]2([C@H]([C@@H]3CCC4[C@@H]([C@H]3CC2)CCC(=O)C=4)CC1)CC)#C[C@]1(O)CC[C@@H]2[C@@]1(CC[C@@H]1[C@@H]3C(=CC(=O)CC3)CC[C@@H]21)CC)[Au]1C([Au][C]([Au][C]([Au][C]1#C[C@@]1(O)[C@]2(CC[C@@H]3[C@@H]4C(=CC(=O)CC4)CC[C@H]3[C@@H]2CC1)CC)#C[C@@]1(O)[C@@]2(CC)CC[C@H]3[C@H]([C@@H]2CC1)CCC1=CC(=O)CC[C@H]31)#C[C@@]1(O)[C@@]2(CC)CC[C@H]3[C@H]([C@@H]2CC1)CCC1=CC(=O)CC[C@H]31)#C[C@@]1(O)[C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@H]2C(=CC(=O)CC2)CC1)CC)#C[C@@]1(O)[C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CCC1=CC(=O)CC[C@H]31)CC
• Title of publication: Atomically Precise Gold-Levonorgestrel Nanocluster as a Radiosensitizer for Enhanced Cancer Therapy.
• Authors of publication: Jia, Tong-Tong; Yang, Guang; Mo, Sai-Jun; Wang, Zhao-Yang; Li, Bing-Jie; Ma, Wang; Guo, Yue-Xin; Chen, Xiaoyuan; Zhao, Xueli; Liu, Jun-Qi; Zang, Shuang-Quan
• Journal of publication: ACS nano
• Year of publication: 2019
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 8320 - 8328
• a: 15.3656 ± 0.0001 Å
• b: 33.7803 ± 0.0002 Å
• c: 34.0423 ± 0.0002 Å
• α: 87.988 ± 0.001°
• β: 84.885 ± 0.001°
• γ: 78.244 ± 0.001°
• Cell volume: 17227.7 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No