Crystallography Open Database

Information card for entry 7235919

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Coordinates	7235919.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5,5'-(furan-2-ylmethylene)bis(6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione)
Formula	C18 H24 N6 O4
Calculated formula	C17 H20 N6 O5
Title of publication	Ceric ammonium nitrate (CAN): an efficient and eco-friendly catalyst for the one-pot synthesis of alkyl/aryl/heteroaryl-substituted bis(6-aminouracil-5-yl)methanes at room temperature
Authors of publication	Brahmachari, Goutam; Banerjee, Bubun
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	49
Pages of publication	39263
a	11.3123 ± 0.0008 Å
b	14.8291 ± 0.001 Å
c	10.8777 ± 0.0008 Å
α	90°
β	102.943 ± 0.007°
γ	90°
Cell volume	1778.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233752 (current)	2019-11-23	cif/ Adding structures of 7235919 via cif-deposit CGI script.	7235919.cif