Crystallography Open Database

Information card for entry 1554492

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Coordinates	1554492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H56 Ag5 Cl2 N6 P4
Calculated formula	C70 H56 Ag5 Cl2 N6 P4
SMILES	c1c(c2nc3[n]([Ag]4[P](C([P](c5ccccc5)([Ag]4N3)c3ccccc3)[Ag]C3[P]([Ag]4Nc5nc(cc[n]5[Ag]4[P]3(c3ccccc3)c3ccccc3)c3cc(Cl)ccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(Cl)cc1
Title of publication	Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Authors of publication	Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	4
Pages of publication	426
a	27.38 ± 0.03 Å
b	26.9 ± 0.03 Å
c	24.03 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	17699 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
237278 (current)	2019-11-24	cif/ Adding structures of 1554489, 1554490, 1554491, 1554492 via cif-deposit CGI script.	1554492.cif