Crystallography Open Database

Information card for entry 1558416

Preview

Coordinates	1558416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H8 F12 Ge
Calculated formula	C24 H8 F12 Ge
Title of publication	Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations
Authors of publication	Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan
Journal of publication	Chemical Science
Year of publication	2020
a	14.40851 ± 0.00016 Å
b	14.40851 ± 0.00016 Å
c	20.9644 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4352.32 ± 0.11 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 K
Number of distinct elements	4
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
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/1558416.html