Crystallography Open Database

Information card for entry 7156689

Preview

Coordinates	7156689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 N O6 S
Calculated formula	C25 H27 N O5 S
Title of publication	Convenient access to 5-membered cyclic iminium ions: evidence for a stepwise [4 + 2] cycloaddition mechanism.
Authors of publication	Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	10
Pages of publication	2705 - 2714
a	11.1279 ± 0.0002 Å
b	6.767 ± 0.0001 Å
c	29.5619 ± 0.0004 Å
α	90°
β	97.073 ± 0.001°
γ	90°
Cell volume	2209.14 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0361
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	0.869
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
225042 (current)	2019-11-08	cif/ Updating files of 7156689 Original log message: Adding full bibliography for 7156689.cif.	7156689.cif
213603	2019-02-12	cif/ Adding structures of 7156689 via cif-deposit CGI script.	7156689.cif