Crystallography Open Database

Information card for entry 7159304

Preview

Coordinates	7159304.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4d-OCF3
Formula	C11 H9 Br F3 N O3
Calculated formula	C11 H9 Br F3 N O3
Title of publication	Catalytic asymmetric CO<sub>2</sub> utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.
Authors of publication	Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	19
Pages of publication	4002 - 4006
a	12.3801 ± 0.0002 Å
b	5.46613 ± 0.00014 Å
c	18.0363 ± 0.0004 Å
α	90°
β	93.6831 ± 0.0018°
γ	90°
Cell volume	1218.02 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284314 (current)	2023-06-05	cif/ Updating files of 7159303, 7159304 Original log message: Adding full bibliography for 7159303--7159304.cif.	7159304.cif
282716	2023-04-19	cif/ Adding structures of 7159303, 7159304 via cif-deposit CGI script.	7159304.cif