Crystallography Open Database

Information card for entry 7204247

7204246 << 7204247 >> 7204248

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Structure parameters

Formula	C19 H13 N5
Calculated formula	C19 H13 N5
SMILES	n1c(cccc1)c1c(nccn1)c1nc(ccc1)c1ncccc1
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	33.8039 ± 0.0031 Å
b	7.8999 ± 0.0009 Å
c	11.7328 ± 0.0009 Å
α	90°
β	97.615 ± 0.007°
γ	90°
Cell volume	3105.6 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0419
Goodness-of-fit parameter for significantly intense reflections	1.0995
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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