Crystallography Open Database

Information card for entry 7125691

Preview

Coordinates	7125691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O
Calculated formula	C16 H19.009 N O
Title of publication	Cobaltaelectro-catalyzed oxidative allene annulation by electro-removable hydrazides.
Authors of publication	Mei, Ruhuai; Fang, Xinyue; He, Liang; Sun, Junmei; Zou, Liang; Ma, Wenbo; Ackermann, Lutz
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	9
Pages of publication	1393 - 1396
a	9.6378 ± 0.0004 Å
b	11.2515 ± 0.0005 Å
c	24.9151 ± 0.0007 Å
α	87.202 ± 0.003°
β	83.8 ± 0.003°
γ	78.211 ± 0.004°
Cell volume	2628.33 ± 0.18 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0826
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.2061
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247619 (current)	2020-02-04	cif/ Updating files of 7125690, 7125691 Original log message: Adding full bibliography for 7125690--7125691.cif.	7125691.cif
245548	2019-12-24	cif/ Adding structures of 7125690, 7125691 via cif-deposit CGI script.	7125691.cif