Crystallography Open Database

Information card for entry 7057750

Preview

Coordinates	7057750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 I N3 O4 S
Calculated formula	C24 H24 I N3 O4 S
Title of publication	NIS-Mediated intermolecular hydroamination of allenamides with imidazole heterocycles: a facile protocol for the synthesis of allylic N,N-acetals
Authors of publication	Li, Yan; Luo, Guo Li; Li, Xiao Xiao; Zhao, Zhi Gang
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	20
Pages of publication	16940
a	8.489 ± 0.0003 Å
b	16.3138 ± 0.0007 Å
c	17.6793 ± 0.0006 Å
α	90°
β	97.676 ± 0.003°
γ	90°
Cell volume	2426.43 ± 0.16 Å³
Cell temperature	295 ± 0.6 K
Ambient diffraction temperature	295 ± 0.6 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1586
Weighted residual factors for all reflections included in the refinement	0.1705
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
230360 (current)	2019-11-17	cif/ Updating files of 7057750 Original log message: Adding full bibliography for 7057750.cif.	7057750.cif
211104	2018-09-22	cif/ Adding structures of 7057750 via cif-deposit CGI script.	7057750.cif