Crystallography Open Database

Information card for entry 7111187

Preview

Coordinates	7111187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Si2
Calculated formula	C30 H28 Si2
Title of publication	Synthesis of bent [4]phenylene (cyclobuta[1,2-a:3,4-b′]bisbiphenylene) and structure of a bis(trimethylsilyl) derivative: the last [4]phenylene isomerElectronic supplementary information (ESI) available: selected bond distances and angles for 9, spectral and analytical information. See http://www.rsc.org/suppdata/cc/b1/b109789j/
Authors of publication	Bong, Dennis T.-Y.; Gentric, Lionel; Holmes, Daniel; Matzger, Adam J.; Scherhag, Frank; Vollhardt, K. Peter C.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	3
Pages of publication	278
a	9.5453 ± 0.0002 Å
b	22.1287 ± 0.0003 Å
c	12.0525 ± 0.0001 Å
α	90°
β	103.155 ± 0.001°
γ	90°
Cell volume	2478.98 ± 0.07 Å³
Cell temperature	147.2 K
Ambient diffraction temperature	147.2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for all reflections included in the refinement	2.054
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111187.cif
96336	2014-01-29	cif/ Adding structures of 7111187 via cif-deposit CGI script.	7111187.cif