Crystallography Open Database

Information card for entry 7240442

Preview

Coordinates	7240442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 N3
Calculated formula	C27 H21 N3
Title of publication	Dehydration in water: frustrated Lewis pairs directly catalyzed allylization of electron-rich arenes and allyl alcohols
Authors of publication	Zhang, Hua; Zhan, Xiao-Yu; Dong, Yu; Yang, Jian; He, Shuai; Shi, Zhi-Chuan; Zhang, Xiao-Mei; Wang, Ji-Yu
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	29
Pages of publication	16942 - 16948
a	13.7508 ± 0.0009 Å
b	5.6719 ± 0.0004 Å
c	26.3268 ± 0.0015 Å
α	90°
β	97.603 ± 0.005°
γ	90°
Cell volume	2035.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	3
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	0.0781
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
257958 (current)	2020-10-06	cif/ Updating files of 7240441, 7240442 Original log message: Adding full bibliography for 7240441--7240442.cif.	7240442.cif
251352	2020-05-01	cif/ Adding structures of 7240441, 7240442 via cif-deposit CGI script.	7240442.cif