Crystallography Open Database: Information card for 1502119

Structure parameters

Formula	C16 H17 N3
Calculated formula	C16 H17 N3
Title of publication	Pd-catalyzed C-H activation/C-N bond formation: a new route to 1-aryl-1H-benzotriazoles.
Authors of publication	Kumar, Rapolu Kiran; Ali, Md Ashif; Punniyamurthy, Tharmalingam
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2102 - 2105
a	13.2943 ± 0.0007 Å
b	7.4099 ± 0.0004 Å
c	27.6216 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2721 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Hermann-Mauguin symmetry space group	P b c a
Hall symmetry space group	-P 2ac 2ab
Residual factor for all reflections	0.0952
Residual factor for observed reflections	0.0497
Weighted residual factors for the observed reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for observed reflections	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database