Crystallography Open Database

Information card for entry 4020462

4020461 << 4020462 >> 4020463

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Structure parameters

Formula	C9 H10 F3 N3
Calculated formula	C9 H10 F3 N3
SMILES	Fc1c(F)nc(F)c2N(CCN(c12)C)C
Title of publication	Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine
Authors of publication	Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	7208 - 7216
a	17.7013 ± 0.0007 Å
b	6.9932 ± 0.0003 Å
c	16.8375 ± 0.0006 Å
α	90°
β	118.152 ± 0.001°
γ	90°
Cell volume	1837.7 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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