Crystallography Open Database

Information card for entry 1558424

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Coordinates	1558424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H14 Cl10 F18 O4 Sb2
Calculated formula	C49 H14 Cl10 F18 O4 Sb2
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	11.428 ± 0.0002 Å
b	14.4693 ± 0.0002 Å
c	17.6698 ± 0.0002 Å
α	103.096 ± 0.001°
β	97.1 ± 0.001°
γ	102.831 ± 0.001°
Cell volume	2727.81 ± 0.07 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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