Crystallography Open Database

Information card for entry 8106924

Preview

Coordinates	8106924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 F N5 O6
Calculated formula	C23 H30 F N5 O6
Title of publication	Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6
Authors of publication	Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; El Ashry, El Sayed H.; Warad, Ismail; Fun, Hoong-Kun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	507 - 509
a	9.5772 ± 0.0003 Å
b	15.9466 ± 0.0005 Å
c	15.838 ± 0.0005 Å
α	90°
β	103.951 ± 0.001°
γ	90°
Cell volume	2347.49 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0474
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
281836 (current)	2023-03-13	cif/ Adding structures of 8106924 via cif-deposit CGI script.	8106924.cif