Crystallography Open Database

Information card for entry 7125074

Preview

Coordinates	7125074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 Cl O4
Calculated formula	C26 H18.1 Cl O4
Title of publication	Hypoiodite-catalysed oxidative cyclisation of Michael adducts of chalcones with 1,3-dicarbonyl compounds: a facile and versatile approach to substituted furans and cyclopropanes.
Authors of publication	Gao, Wen-Chao; Hu, Fei; Tian, Jun; Li, Xing; Wei, Wen-Long; Chang, Hong-Hong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	89
Pages of publication	13097 - 13100
a	8.8081 ± 0.0004 Å
b	9.9881 ± 0.0005 Å
c	12.6194 ± 0.0006 Å
α	79.9048 ± 0.0016°
β	82.4837 ± 0.0016°
γ	80.2931 ± 0.0016°
Cell volume	1071.49 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
234488 (current)	2019-11-23	cif/ Adding structures of 7125074, 7125075 via cif-deposit CGI script.	7125074.cif