Crystallography Open Database

Information card for entry 7122357

Preview

Structure parameters

Formula	C18 H17 Br N2 O2
Calculated formula	C18 H17 Br N2 O2
Title of publication	Metal-free direct C-arylation of 1,3-dicarbonyl compounds and ethyl cyanoacetate: a platform to access diverse arrays of meta-functionalized phenols.
Authors of publication	Taneja, Neha; Peddinti, Rama Krishna
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	81
Pages of publication	11423 - 11426
a	12.569 ± 0.0003 Å
b	7.6182 ± 0.0002 Å
c	17.8411 ± 0.0004 Å
α	90°
β	104.161 ± 0.001°
γ	90°
Cell volume	1656.43 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7122357.html