Crystallography Open Database

Information card for entry 7156313

Preview

Coordinates	7156313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 N O3 S
Calculated formula	C18 H25 N O3 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	11.6879 ± 0.0008 Å
b	18.2014 ± 0.0011 Å
c	8.4879 ± 0.0004 Å
α	90°
β	102.767 ± 0.005°
γ	90°
Cell volume	1761.04 ± 0.18 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	0.0643
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230808 (current)	2019-11-17	cif/ Updating files of 7156313, 7156314, 7156315, 7156316, 7156317, 7156318 Original log message: Adding full bibliography for 7156313--7156318.cif.	7156313.cif
209012	2018-07-13	cif/ Adding structures of 7156313, 7156314, 7156315, 7156316, 7156317, 7156318 via cif-deposit CGI script.	7156313.cif