Crystallography Open Database

Information card for entry 7125678

Preview

Coordinates	7125678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 O7
Calculated formula	C21 H20 O7
Title of publication	Synthesis of 2-alkenylfurans via a Ag(i)-catalyzed tandem cyclization/cross-coupling reaction of enynones with iodonium ylides.
Authors of publication	Peng, Haiyun; Wan, Yinbo; Zhang, Yu; Deng, Guisheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	9
Pages of publication	1417 - 1420
a	12.1107 ± 0.0002 Å
b	12.1107 ± 0.0002 Å
c	52.4973 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	7699.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
247615 (current)	2020-02-04	cif/ Updating files of 7125678 Original log message: Adding full bibliography for 7125678.cif.	7125678.cif
245464	2019-12-21	cif/ Adding structures of 7125678 via cif-deposit CGI script.	7125678.cif