Crystallography Open Database

Information card for entry 7156314

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Coordinates	7156314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 N O4 S
Calculated formula	C18 H25 N O4 S
Title of publication	Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.
Authors of publication	Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	31
Pages of publication	5618 - 5625
a	8.2097 ± 0.0006 Å
b	11.3718 ± 0.001 Å
c	11.432 ± 0.0009 Å
α	63.44 ± 0.008°
β	84.691 ± 0.006°
γ	84.975 ± 0.007°
Cell volume	949.27 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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