Crystallography Open Database

Information card for entry 7112059

7112058 << 7112059 >> 7112060

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Coordinates	7112059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 Co N O4
Calculated formula	C11 H14 Co N O4
Title of publication	Observation of allylic rearrangement in water-rich reaction
Authors of publication	Yuan-Chao Pang; Xiufang Hou; Lei Qin; Chao Wu; Wei Xue; Yan-Zhen Zheng; Zhiping Zheng; Xiao-Ming Chen
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2910
a	6.3144 ± 0.0006 Å
b	20.2085 ± 0.0019 Å
c	9.4966 ± 0.0009 Å
α	90°
β	106.005 ± 0.001°
γ	90°
Cell volume	1164.84 ± 0.19 Å³
Cell temperature	288 ± 2 K
Ambient diffraction temperature	288 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112059.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112059.cif
103764	2014-03-07	cif/ Adding structures of 7112059, 7112060 via cif-deposit CGI script.	7112059.cif