Crystallography Open Database

Information card for entry 4112058

4112057 << 4112058 >> 4112059

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Coordinates	4112058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H15 O7.5
Calculated formula	C23.5 H12 O7.5
Title of publication	Detection of Homocysteine and Cysteine
Authors of publication	Weihua Wang; Oleksandr Rusin; Xiangyang Xu; Kyu Kwang Kim; Jorge O. Escobedo; Sayo O. Fakayode; Kristin A. Fletcher; Mark Lowry; Corin M. Schowalter; Candace M. Lawrence; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	15949 - 15958
a	19.388 ± 0.006 Å
b	7.897 ± 0.002 Å
c	24.479 ± 0.009 Å
α	90°
β	91.407 ± 0.01°
γ	90°
Cell volume	3747 ± 2 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	3
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	0.12
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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