Crystallography Open Database

Information card for entry 7128564

Preview

Coordinates	7128564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 O3
Calculated formula	C16 H14 O3
Title of publication	Lactonization with concomitant 1,2-aryl migration and alkoxylation mediated by dialkoxyphenyl iodides generated <i>in situ</i>.
Authors of publication	Zhang, Jingran; Jalil, Ayesha; He, Jiaxin; Yu, Zhenyang; Cheng, Yifu; Li, Guangchen; Du, Yunfei; Zhao, Kang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	60
Pages of publication	7426 - 7429
a	16.7429 ± 0.0001 Å
b	10.5512 ± 0.0001 Å
c	14.6971 ± 0.0001 Å
α	90°
β	93.247 ± 0.001°
γ	90°
Cell volume	2592.19 ± 0.03 Å³
Cell temperature	99.97 ± 0.11 K
Ambient diffraction temperature	99.97 ± 0.11 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
268579 (current)	2021-09-06	cif/ Updating files of 7128564 Original log message: Adding full bibliography for 7128564.cif.	7128564.cif
266794	2021-06-30	cif/ Adding structures of 7128564 via cif-deposit CGI script.	7128564.cif