Crystallography Open Database

Information card for entry 7127022

Preview

Coordinates	7127022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Br2 O4
Calculated formula	C18 H14 Br2 O4
Title of publication	Copper-catalyzed carbene insertion and ester migration for the synthesis of polysubstituted pyrroles.
Authors of publication	Li, Mingrui; Sun, Yiming; Xie, Yuxing; Yu, Yang; Huang, Fei; Huang, He
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	75
Pages of publication	11050 - 11053
a	6.5732 ± 0.0004 Å
b	12.3258 ± 0.0006 Å
c	22.4447 ± 0.0013 Å
α	105.598 ± 0.002°
β	93.439 ± 0.002°
γ	93.704 ± 0.002°
Cell volume	1742.17 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0594
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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/7127022.html