Crystallography Open Database

Information card for entry 1558423

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Coordinates	1558423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 F9 Sb
Calculated formula	C18 H6 F9 Sb
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	10.2444 ± 0.0002 Å
b	17.0576 ± 0.0003 Å
c	9.5358 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1666.33 ± 0.05 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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

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