Crystallography Open Database

Information card for entry 1508856

Preview

Coordinates	1508856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C213 H201 S4
Calculated formula	C213 H152 S4
Title of publication	Catalytic C-h and C-s bond activation of thiophenes.
Authors of publication	Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	2
Pages of publication	282 - 285
a	16.0668 ± 0.0017 Å
b	16.7268 ± 0.0011 Å
c	18.1635 ± 0.0008 Å
α	96.294 ± 0.005°
β	99.037 ± 0.006°
γ	108.324 ± 0.008°
Cell volume	4510 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2454
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508856.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508856.cif
74006	2013-02-21	cif/ Adding structures of 1508853, 1508854, 1508855, 1508856 via cif-deposit CGI script.	1508856.cif