Crystallography Open Database

Information card for entry 1517251

Preview

Coordinates	1517251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O2
Calculated formula	C19 H19 N O2
SMILES	C1(=CN(c2ccccc2)CCc2c1cccc2)C(=O)OCC
Title of publication	Metal-free visible-light induced cross-dehydrogenative coupling of tertiary amines with diazo compounds.
Authors of publication	Xiao, Tiebo; Li, Linyong; Lin, Guoliang; Mao, Zong-Wan; Zhou, Lei
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	16
Pages of publication	4232 - 4235
a	11.5674 ± 0.0008 Å
b	18.339 ± 0.0011 Å
c	7.6496 ± 0.0006 Å
α	90°
β	108.4 ± 0.008°
γ	90°
Cell volume	1539.8 ± 0.2 Å³
Cell temperature	296 ± 4 K
Ambient diffraction temperature	296 ± 4 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	0.0582
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.0729
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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