Crystallography Open Database

Information card for entry 7029322

Preview

Coordinates	7029322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H20 B10 O2
Calculated formula	C11 H20 B10 O2
SMILES	O(C)c1ccc(cc1)C(=O)[C]1234[BH]567[BH]891[BH]1%10%11[BH]%1258[BH]586[BH]61%12[BH]1%125[BH]5%106[BH]3%12([C]2781C)[BH]49%115
Title of publication	Cross-coupling reaction between arylboronic acids and carboranyl iodides catalyzed by graphene oxide (GO)-supported Pd(0) recyclable nanoparticles for the synthesis of carboranylaryl ketones.
Authors of publication	Biying, Algin Oh; Vangala, Venu R.; Chen, Chia Sze; Stubs, Ludger Paul; Hosmane, Narayan S.; Yinghuai, Zhu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	13
Pages of publication	5014 - 5020
a	10.05 ± 0.002 Å
b	7.5783 ± 0.0015 Å
c	22.381 ± 0.006 Å
α	90°
β	110.4 ± 0.03°
γ	90°
Cell volume	1597.7 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.0563
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
179999 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93.	7029322.cif
107119	2014-03-17	cif/ Adding structures of 7029322 via cif-deposit CGI script.	7029322.cif