Crystallography Open Database

Information card for entry 7156231

Preview

Coordinates	7156231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 F2 N2 O4 S
Calculated formula	C24 H20 F2 N2 O4 S
Title of publication	Neighboring phenolic group-activated gem-difluoroallylboration of imines for the catalyst-free synthesis of gem-difluorohomoallylamines.
Authors of publication	Yang, Xing; Zhang, Feng; Zhou, Yang; Huang, Yi-Yong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	18
Pages of publication	3367 - 3371
a	10.457 ± 0.006 Å
b	18.104 ± 0.011 Å
c	11.424 ± 0.007 Å
α	90°
β	98.239 ± 0.011°
γ	90°
Cell volume	2140 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0969
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
230823 (current)	2019-11-17	cif/ Updating files of 7156231 Original log message: Adding full bibliography for 7156231.cif.	7156231.cif
207477	2018-04-25	cif/ Adding structures of 7156231 via cif-deposit CGI script.	7156231.cif