Crystallography Open Database

Information card for entry 1540611

Preview

Coordinates	1540611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 Si4
Calculated formula	C60 H56 Si4
SMILES	[Si](C1=C=C2c3cc4c5c(C(=C=C([Si](C)(C)C)C(=C=C6c7cc8c9c(C(=C=C1[Si](C)(C)C)c8cc7c1c6cccc1)cccc9)[Si](C)(C)C)c4cc3c1c2cccc1)cccc5)(C)(C)C
Title of publication	Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates.
Authors of publication	Fu, Xiangyu; Zhao, Dahui
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	22
Pages of publication	5694 - 5697
a	16.685 ± 0.004 Å
b	16.536 ± 0.004 Å
c	37.285 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	10287 ± 4 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1845
Goodness-of-fit parameter for all reflections included in the refinement	1.32
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170761 (current)	2015-12-06	cif/ Adding structures of 1540611 via cif-deposit CGI script.	1540611.cif