Crystallography Open Database

Information card for entry 4516826

Preview

Coordinates	4516826.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
239570 (current)	2019-11-24	cif/ Adding structures of 4516826 via cif-deposit CGI script.	4516826.cif