Crystallography Open Database

Information card for entry 7121811

Preview

Coordinates	7121811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 Cl N O
Calculated formula	C19 H18 Cl N O
Title of publication	GO-Cu<sub>7</sub>S<sub>4</sub> catalyzed ortho-aminomethylation of phenol derivatives with N,N-dimethylbenzylamines: site-selective oxidative CDC.
Authors of publication	Gupta, Sonu; Chandna, Nisha; Dubey, Pooja; Singh, Ajai K.; Jain, Nidhi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	54
Pages of publication	7511 - 7514
a	20.1159 ± 0.0013 Å
b	8.9951 ± 0.0005 Å
c	17.9253 ± 0.0011 Å
α	90°
β	93.382 ± 0.002°
γ	90°
Cell volume	3237.8 ± 0.3 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	5
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	0.0726
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
228559 (current)	2019-11-17	cif/ Updating files of 7121811 Original log message: Adding full bibliography for 7121811.cif.	7121811.cif
208152	2018-06-06	cif/ Adding structures of 7121811 via cif-deposit CGI script.	7121811.cif