Crystallography Open Database

Information card for entry 4518472

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Structure parameters

Formula	C13 H3 B F8 O
Calculated formula	C13 H3 B F8 O
SMILES	c1(c(c(c(c2c1B(c1c(C2)c(c(c(c1F)F)F)F)O)F)F)F)F
Title of publication	Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization
Authors of publication	Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	2
Pages of publication	865 - 870
a	16.0009 ± 0.0012 Å
b	4.7685 ± 0.0004 Å
c	16.6499 ± 0.0012 Å
α	90°
β	116.991 ± 0.0008°
γ	90°
Cell volume	1132.02 ± 0.15 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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