Crystallography Open Database

Information card for entry 7156316

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Coordinates	7156316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N O4 S
Calculated formula	C20 H21 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	17.4085 ± 0.001 Å
b	6.2355 ± 0.0003 Å
c	17.4828 ± 0.0011 Å
α	90°
β	99.565 ± 0.006°
γ	90°
Cell volume	1871.39 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
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	0.0669
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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