Crystallography Open Database

Information card for entry 4080914

Preview

Coordinates	4080914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H26 B11 N O Si
Calculated formula	C7 H26 B11 N O Si
SMILES	[Si]1(OC(=[N+](C1)C)C)(C)C.[CH]1234[BH]567[BH]89%10[BH]%11%125[BH]5%138[BH]8%14%15[BH]%161([BH]128[BH]95%14[BH]47%101)[BH]%11%13%15[BH]36%12%16
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	13.841 ± 0.004 Å
b	15.636 ± 0.005 Å
c	8.021 ± 0.006 Å
α	90°
β	90.04 ± 0.04°
γ	90°
Cell volume	1735.9 ± 1.5 Å³
Cell temperature	203.2 K
Ambient diffraction temperature	203.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.17
Weighted residual factors for all reflections included in the refinement	0.1722
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	4080914.cif
87948	2013-08-27	cif/ Adding structures of 4080913, 4080914, 4080915, 4080916 via cif-deposit CGI script.	4080914.cif