Crystallography Open Database

Information card for entry 1558416

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Structure parameters

Formula	C24 H8 F12 Ge
Calculated formula	C24 H8 F12 Ge
SMILES	c1(cc(c(c(c1)F)F)F)[Ge](c1cc(c(c(c1)F)F)F)(c1cc(c(c(c1)F)F)F)c1cc(c(c(c1)F)F)F
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

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558416.cif
253462	2020-06-26	cif/ Adding structures of 1558415, 1558416, 1558417, 1558418, 1558419, 1558420, 1558421, 1558422, 1558423, 1558424, 1558425 via cif-deposit CGI script.	1558416.cif