Crystallography Open Database

Information card for entry 4030692

Preview

Coordinates	4030692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 Br F3 N O2 S
Calculated formula	C16 H15 Br F3 N O2 S
Title of publication	Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.
Authors of publication	Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	5
Pages of publication	2815 - 2821
a	6.805 ± 0.002 Å
b	8.529 ± 0.003 Å
c	15.363 ± 0.005 Å
α	74.591 ± 0.007°
β	89.569 ± 0.008°
γ	87.535 ± 0.007°
Cell volume	858.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.164
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
178485 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/06.	4030692.cif
134843	2015-04-04	cif/ Updating files of 4030691, 4030692, 4030693, 4030694, 4030695, 4030696 Original log message: Adding full bibliography for 4030691--4030696.cif.	4030692.cif
131894	2015-02-17	cif/ Adding structures of 4030692 via cif-deposit CGI script.	4030692.cif