Crystallography Open Database

Information card for entry 4071629

Preview

Coordinates	4071629.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(4-trimetylsilylphenyl)- 2,3,4,5-tetraphenylborole
Formula	C37 H30 B Si
Calculated formula	C37 H30 B Si
Title of publication	Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions
Authors of publication	So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	14
Pages of publication	3496
a	18.9 ± 0.005 Å
b	15.875 ± 0.004 Å
c	19.674 ± 0.005 Å
α	90°
β	94.149 ± 0.004°
γ	90°
Cell volume	5887 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178605 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/16.	4071629.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071629.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071629.cif
43954	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071628, 4071629, 4071630, 4071631, 4071632 via cif-deposit CGI script.	4071629.cif