Crystallography Open Database

Information card for entry 7705018

Preview

Coordinates	7705018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H24 N12 O8 V2
Calculated formula	C52 H24 N12 O8 V2
Title of publication	Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.
Authors of publication	Deng, Lan; Zhou, Zhao-Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	34
Pages of publication	11921 - 11930
a	21.4251 ± 0.0006 Å
b	15.6225 ± 0.0004 Å
c	13.7562 ± 0.0003 Å
α	90°
β	96.682 ± 0.002°
γ	90°
Cell volume	4573.1 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.1052
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2574
Weighted residual factors for all reflections included in the refinement	0.3036
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
256114 (current)	2020-09-06	cif/ Updating files of 7705016, 7705017, 7705018, 7705019 Original log message: Adding full bibliography for 7705016--7705019.cif.	7705018.cif
254825	2020-08-05	cif/ Adding structures of 7705016, 7705017, 7705018, 7705019 via cif-deposit CGI script.	7705018.cif