Crystallography Open Database

Information card for entry 7156880

Preview

Coordinates	7156880.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	WIN573
Formula	C28 H21 Br F3 N O4
Calculated formula	C28 H21 Br F3 N O4
Title of publication	Synthesis of α-CF<sub>3</sub>-proline derivatives by means of a formal (3 + 2)-cyclisation between trifluoropyruvate imines and Michael acceptors.
Authors of publication	Winter, Michael; Faust, Kirill; Himmelsbach, Markus; Waser, Mario
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	23
Pages of publication	5731 - 5735
a	10.1546 ± 0.0003 Å
b	10.8743 ± 0.0004 Å
c	13.3084 ± 0.0005 Å
α	85.375 ± 0.002°
β	77.474 ± 0.001°
γ	63.999 ± 0.001°
Cell volume	1289.22 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
225252 (current)	2019-11-08	cif/ Updating files of 7156880 Original log message: Adding full bibliography for 7156880.cif.	7156880.cif
215520	2019-05-25	cif/ Adding structures of 7156880 via cif-deposit CGI script.	7156880.cif