Crystallography Open Database

Information card for entry 8106864

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Coordinates	8106864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 Cl2 F3 N5 O6
Calculated formula	C25 H30 Cl2 F3 N5 O6
Title of publication	Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6
Authors of publication	Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Quah, Ching-Kheng; Fun, Hoong-Kun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	321 - 323
a	11.0768 ± 0.0004 Å
b	15.662 ± 0.0005 Å
c	16.683 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2894.25 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
281699 (current)	2023-03-07	cif/ Adding structures of 8106864 via cif-deposit CGI script.	8106864.cif