Crystallography Open Database

Information card for entry 4121967

4121966 << 4121967 >> 4121968

Preview

Coordinates	4121967.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cmpd5b
Formula	C46 H67 N O4 S4 Si4
Calculated formula	C44 H64 O4 S4 Si4
Title of publication	Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.
Authors of publication	Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	24
Pages of publication	8738 - 8745
a	12.481 ± 0.007 Å
b	14.609 ± 0.007 Å
c	16.096 ± 0.008 Å
α	98.34 ± 0.02°
β	90.05 ± 0.02°
γ	108.281 ± 0.012°
Cell volume	2754 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
179021 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/19.	4121967.cif
119148	2014-07-05	cif/ Updating files of 4121966, 4121967, 4121968, 4121969 Original log message: Adding full bibliography for 4121966--4121969.cif.	4121967.cif
116089	2014-06-07	cif/ Adding structures of 4121967 via cif-deposit CGI script.	4121967.cif