Crystallography Open Database

Information card for entry 1504669

Preview

Coordinates	1504669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H30 B Bi F4
Calculated formula	C37 H30 B Bi F4
SMILES	[Bi](c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc2ccc3c4c2c1ccc4ccc3.[B](F)(F)(F)[F-]
Title of publication	Triaryl(1-pyrenyl)bismuthonium salts: efficient photoinitiators for cationic polymerization of oxiranes and a vinyl ether.
Authors of publication	Matano, Yoshihiro; Shinokura, Tomonori; Yoshikawa, Osamu; Imahori, Hiroshi
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	11
Pages of publication	2167 - 2170
a	9.779 ± 0.003 Å
b	19.034 ± 0.005 Å
c	16.871 ± 0.005 Å
α	90°
β	102.501 ± 0.001°
γ	90°
Cell volume	3065.8 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0613
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504669.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504669.cif
42274	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504669, 1504670 via cif-deposit CGI script.	1504669.cif