Crystallography Open Database

Information card for entry 7157773

Preview

Coordinates	7157773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O3 S
Calculated formula	C17 H19 N O3 S
Title of publication	Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)<sub>2</sub>-mediated difunctionalization of alkenes.
Authors of publication	Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	48
Pages of publication	9873 - 9882
a	5.9286 ± 0.0005 Å
b	8.2863 ± 0.0007 Å
c	8.6201 ± 0.0008 Å
α	109.21 ± 0.003°
β	90.208 ± 0.003°
γ	103.829 ± 0.002°
Cell volume	386.74 ± 0.06 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260822 (current)	2021-01-07	cif/ Updating files of 7157773 Original log message: Adding full bibliography for 7157773.cif.	7157773.cif
259454	2020-12-02	cif/ Adding structures of 7157773 via cif-deposit CGI script.	7157773.cif