Crystallography Open Database

Information card for entry 8106291

Preview

Coordinates	8106291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N2 O3
Calculated formula	C16 H16 N2 O3
Title of publication	Crystal structure of 2-((E)-((4-((E)-1-(hydroxyimino)ethyl)phenyl)iminio)methyl)-5-methoxyphenolate, C16H16N2O3
Authors of publication	Li, Peng-Peng; Ma, Jin-Xia; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	5
Pages of publication	773 - 775
a	8.7904 ± 0.0007 Å
b	12.0808 ± 0.0011 Å
c	14.3999 ± 0.0011 Å
α	68.001 ± 0.008°
β	81.114 ± 0.006°
γ	83.933 ± 0.007°
Cell volume	1398.9 ± 0.2 Å³
Cell temperature	290.83 ± 0.1 K
Ambient diffraction temperature	290.83 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8106291.html