Crystallography Open Database

Information card for entry 7114858

Preview

Coordinates	7114858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 B10
Calculated formula	C16 H20 B10
SMILES	[BH]1234[BH]567[BH]891[BH]1%102[BH]2%11%12[BH]%13%14%15[BH]35([BH]36%13[BH]5%11%15[C]6783[C]9%10%125C3c5c(C6c6ccccc36)cccc5)[BH]412%14
Title of publication	Synthesis and reactivity of an efficient 1,2-dehydrocarborane precursor, phenyl[o-(trimethylsilyl)carboranyl]iodonium acetate
Authors of publication	Jeon, Joonsang; Kitamura, Tsugio; Yoo, Byung-Woo; Kang, Sang Ook; Ko, Jaejung
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	20
Pages of publication	2110
a	8.7419 ± 0.0018 Å
b	15.71 ± 0.003 Å
c	13.3 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1826.6 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1616
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
180262 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/48.	7114858.cif
118379	2014-06-30	cif/ Adding structures of 7114858, 7114859 via cif-deposit CGI script.	7114858.cif