Crystallography Open Database

Information card for entry 7156315

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Coordinates	7156315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 N O4 S
Calculated formula	C13 H15 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	10.8106 ± 0.001 Å
b	5.454 ± 0.0005 Å
c	11.7245 ± 0.001 Å
α	90°
β	104.012 ± 0.005°
γ	90°
Cell volume	670.72 ± 0.11 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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