Crystallography Open Database

Information card for entry 7231811

Preview

Coordinates	7231811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H23 B8 F3 O3 S
Calculated formula	C10 H23 B8 F3 O3 S
Title of publication	Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry
Authors of publication	Bakardjiev, Mario; Tok, Oleg L.; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Fanfrlík, Jindřich; Štíbr, Bohumil
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	67
Pages of publication	38238
a	10.2153 ± 0.0005 Å
b	12.7603 ± 0.0007 Å
c	15.3713 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2003.65 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
211970 (current)	2018-11-15	cif/ Adding structures of 7231810, 7231811 via cif-deposit CGI script.	7231811.cif