Crystallography Open Database

Information card for entry 7200247

7200246 << 7200247 >> 7200248

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Coordinates	7200247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 N3
Calculated formula	C14 H11 N3
SMILES	n1c(N)ncc(c1)c1ccc2ccccc2c1
Title of publication	Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation
Authors of publication	Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	2
Pages of publication	306
a	46.0671 ± 0.0008 Å
b	6.2813 ± 0.0001 Å
c	7.4605 ± 0.0002 Å
α	90°
β	96.0684 ± 0.0013°
γ	90°
Cell volume	2146.68 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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