Crystallography Open Database

Information card for entry 1556251

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Coordinates	1556251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 O S Si2
Calculated formula	C32 H46 O S Si2
Title of publication	Directed metalation cascade to access highly functionalized thieno[2,3-f]benzofuran and exploration as building blocks for organic electronics.
Authors of publication	Aeschi, Yves; Li, Hui; Cao, Zhencai; Chen, Songjie; Amacher, Anneliese; Bieri, Nathalie; Özen, Bilal; Hauser, Juerg; Decurtins, Silvio; Tan, Songting; Liu, Shi-Xia
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	21
Pages of publication	5586 - 5589
a	8.9195 ± 0.0001 Å
b	15.2543 ± 0.0001 Å
c	13.8533 ± 0.0002 Å
α	90°
β	122.537 ± 0.002°
γ	90°
Cell volume	1589.05 ± 0.05 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	0.0925
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.2325
Weighted residual factors for all reflections included in the refinement	0.2443
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243597 (current)	2019-11-26	cif/ Adding structures of 1556251 via cif-deposit CGI script.	1556251.cif