Crystallography Open Database

Information card for entry 7125672

Preview

Coordinates	7125672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 I N2 O3 S
Calculated formula	C29 H23 I N2 O3 S
Title of publication	Iodine promoted cascade cycloisomerization of 1-en-6,11-diynes.
Authors of publication	Qiu, Yi-Feng; Niu, Yue-Jie; Song, Xian-Rong; Wei, Xi; Chen, Hui; Li, Shun-Xi; Wang, Xi-Cun; Huo, Congde; Quan, Zheng-Jun; Liang, Yong-Min
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	9
Pages of publication	1421 - 1424
a	25.67 ± 0.002 Å
b	10.522 ± 0.0007 Å
c	9.8072 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2648.9 ± 0.4 Å³
Cell temperature	292.86 ± 0.1 K
Ambient diffraction temperature	292.86 ± 0.1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
247618 (current)	2020-02-04	cif/ Updating files of 7125671, 7125672 Original log message: Adding full bibliography for 7125671--7125672.cif.	7125672.cif
245417	2019-12-20	cif/ Adding structures of 7125671, 7125672 via cif-deposit CGI script.	7125672.cif