Crystallography Open Database

Information card for entry 1507886

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Structure parameters

Formula	C22 H26 N O3
Calculated formula	C22 H26 N O3
SMILES	N(C1CCCCC1)c1c(cc(c(c1)C)c1ccc(OC)cc1)C(=O)OC
Title of publication	Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.
Authors of publication	Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	13
Pages of publication	3506 - 3509
a	9.0407 ± 0.0013 Å
b	18.322 ± 0.003 Å
c	12.1717 ± 0.0017 Å
α	90°
β	92.967 ± 0.003°
γ	90°
Cell volume	2013.5 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.066
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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