Crystallography Open Database

Information card for entry 1504663

Preview

Coordinates	1504663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 F18 N2 P2 S2
Calculated formula	C41 H34 F18 N2 P2 S2
Title of publication	Control of the photoreactivity of diarylethene derivatives by quaternarization of the pyridylethynyl group.
Authors of publication	Yumoto, Koji; Irie, Masahiro; Matsuda, Kenji
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	10
Pages of publication	2051 - 2054
a	26.0526 ± 0.0014 Å
b	33.9275 ± 0.0019 Å
c	9.413 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8320.1 ± 0.8 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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.	1504663.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504663.cif
42268	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504663 via cif-deposit CGI script.	1504663.cif