Crystallography Open Database

Information card for entry 7204248

7204247 << 7204248 >> 7204249

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Coordinates	7204248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 N8
Calculated formula	C28 H18 N8
SMILES	c1(cccc(c2nccnc2c2ncccc2)n1)c1cccc(c2c(nccn2)c2ncccc2)n1
Title of publication	Insights on the synthesis and organisational phenomena of twisted pyrazine‒pyridine hybrids
Authors of publication	Heirtzler, Fenton; Neuburger, Markus; Kulike, Klaus
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2002
Journal issue	6
Pages of publication	809
a	7.6365 ± 0.0005 Å
b	15.3853 ± 0.0012 Å
c	9.7993 ± 0.0006 Å
α	90°
β	94.771 ± 0.005°
γ	90°
Cell volume	1147.33 ± 0.14 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0401
Goodness-of-fit parameter for significantly intense reflections	1.1861
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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