Crystallography Open Database

Information card for entry 7126470

Preview

Coordinates	7126470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 I O4
Calculated formula	C19 H17 I O4
Title of publication	Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.
Authors of publication	Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	49
Pages of publication	6680 - 6683
a	10.5655 ± 0.0004 Å
b	14.926 ± 0.0005 Å
c	11.4963 ± 0.0004 Å
α	90°
β	107.437 ± 0.004°
γ	90°
Cell volume	1729.66 ± 0.11 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
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	0.0449
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
253819 (current)	2020-07-06	cif/ Updating files of 7126465, 7126466, 7126467, 7126468, 7126469, 7126470 Original log message: Adding full bibliography for 7126465--7126470.cif.	7126470.cif
251333	2020-05-01	cif/ Adding structures of 7126465, 7126466, 7126467, 7126468, 7126469, 7126470 via cif-deposit CGI script.	7126470.cif