Crystallography Open Database

Information card for entry 7705016

Preview

Coordinates	7705016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 N6 O14 V2
Calculated formula	C30 H31 N6 O14 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	14.6292 ± 0.0003 Å
b	18.101 ± 0.0003 Å
c	15.3035 ± 0.0003 Å
α	90°
β	103.274 ± 0.002°
γ	90°
Cell volume	3944.15 ± 0.13 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	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7705016.cif
254825	2020-08-05	cif/ Adding structures of 7705016, 7705017, 7705018, 7705019 via cif-deposit CGI script.	7705016.cif