Crystallography Open Database

Information card for entry 1553045

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Structure parameters

Formula	C16 H19 N3 O2
Calculated formula	C16 H19 N3 O2
SMILES	O(c1cc(ncc1C(=O)NC(C)(C)c1ncccc1)C)C
Title of publication	Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary
Authors of publication	Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng
Journal of publication	Organic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	2
Pages of publication	119
a	8.0742 ± 0.0005 Å
b	12.4409 ± 0.001 Å
c	17.6473 ± 0.0012 Å
α	71.94 ± 0.007°
β	79.009 ± 0.006°
γ	72.177 ± 0.006°
Cell volume	1595.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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