Crystallography Open Database

Information card for entry 4032534

Preview

Coordinates	4032534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N3 O
Calculated formula	C19 H19 N3 O
SMILES	N(N(c1c(cccc1)C)c1c(cccc1)C)C(=O)c1[nH]ccc1
Title of publication	Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.
Authors of publication	Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	10
Pages of publication	5416 - 5423
a	10.1059 ± 0.0005 Å
b	17.653 ± 0.0007 Å
c	9.9226 ± 0.0004 Å
α	90°
β	112.424 ± 0.005°
γ	90°
Cell volume	1636.34 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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