Crystallography Open Database

Information card for entry 7055774

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Coordinates	7055774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N7 O10 S Zn
Calculated formula	C27 H27 N7 O10 S Zn
Title of publication	Ultraviolet irradiation-mediated formation of Aβ42 oligomers and reactive oxygen species in Zn2±bound Aβ42 aggregates irrespective of the removal of Zn2+
Authors of publication	Li, Xiang; Dong, Xiongwei; Liu, Yaojing; Meng, Yan; Zhang, Yong; Zhang, Dan; Liu, Changlin
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	11
Pages of publication	9385
a	35.144 ± 0.007 Å
b	10.1699 ± 0.0017 Å
c	33.644 ± 0.006 Å
α	90°
β	148.402 ± 0.008°
γ	90°
Cell volume	6300 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2188
Weighted residual factors for all reflections included in the refinement	0.2262
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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