Crystallography Open Database

Information card for entry 1507307

Preview

Coordinates	1507307.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(S,R,R)-1b
Formula	C33 H28 F6 S2
Calculated formula	C33 H28 F6 S2
Title of publication	Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.
Authors of publication	Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	10
Pages of publication	1769 - 1772
a	10.555 ± 0.006 Å
b	25.402 ± 0.013 Å
c	10.647 ± 0.006 Å
α	90°
β	91.697 ± 0.006°
γ	90°
Cell volume	2853 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2019
Residual factor for significantly intense reflections	0.0931
Weighted residual factors for significantly intense reflections	0.2286
Weighted residual factors for all reflections included in the refinement	0.2971
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	1507307.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507307.cif
53809	2012-04-20	cif/ Adding structures of 1507305, 1507306, 1507307, 1507308 via cif-deposit CGI script.	1507307.cif