Crystallography Open Database

Information card for entry 1506450

Preview

Coordinates	1506450.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	22_in_paper
Formula	C5 H6 S3
Calculated formula	C5 H6 S3
Title of publication	Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.
Authors of publication	Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	5
Pages of publication	917 - 920
a	10.2496 ± 0.0011 Å
b	6.7971 ± 0.0007 Å
c	10.6545 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	742.27 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
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.	1506450.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506450.cif
50323	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506445, 1506446, 1506447, 1506448, 1506449, 1506450, 1506451, 1506452, 1506453 via cif-deposit CGI script.	1506450.cif