Crystallography Open Database

Information card for entry 4080916

Preview

Coordinates	4080916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H38 B11 N O Si3
Calculated formula	C11 H38 B11 N O Si3
SMILES	[Si]([Si]1([Si](C)(C)C)OC(=[N+](C1)C)C)(C)(C)C.[CH]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%155([BH]526[BH]2%14%15[BH]6%11%13[BH]39%10[BH]4526)[BH]781%12
Title of publication	Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction
Authors of publication	Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	13
Pages of publication	3575
a	15.208 ± 0.003 Å
b	18.923 ± 0.003 Å
c	8.862 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2550.3 ± 0.9 Å³
Cell temperature	203.2 K
Ambient diffraction temperature	203.2 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 significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.252
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4080916.cif
87948	2013-08-27	cif/ Adding structures of 4080913, 4080914, 4080915, 4080916 via cif-deposit CGI script.	4080916.cif