Crystallography Open Database

Information card for entry 7125648

Preview

Coordinates	7125648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 Cl N2 O6
Calculated formula	C21 H29 Cl N2 O6
Title of publication	Copper-catalyzed stereoselective alkylhydrazination of alkynes.
Authors of publication	Lei, Jian; Gao, Huaxin; Huang, Miaoling; Liu, Xiao; Mao, Yangfan; Xie, Xiaolan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	6
Pages of publication	920 - 923
a	10.3139 ± 0.0009 Å
b	11.338 ± 0.001 Å
c	12.384 ± 0.001 Å
α	63.811 ± 0.008°
β	72.144 ± 0.008°
γ	69.542 ± 0.008°
Cell volume	1197.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247602 (current)	2020-02-04	cif/ Updating files of 7125648 Original log message: Adding full bibliography for 7125648.cif.	7125648.cif
245032	2019-12-13	cif/ Adding structures of 7125648 via cif-deposit CGI script.	7125648.cif