Crystallography Open Database

Information card for entry 1559704

Preview

Coordinates	1559704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 F6 O6
Calculated formula	C29 H34 F6 O6
SMILES	C1(OCC(CO1)(C)C)c1cc(c(CC)o1)C1=C(c2cc(C3OCC(CO3)(C)C)oc2CC)C(F)(F)C(C1(F)F)(F)F
Title of publication	Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.
Authors of publication	Sysoiev, Dmytro; Huhn, Thomas
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2020
Journal volume	19
Journal issue	11
Pages of publication	1511 - 1516
a	21.354 ± 0.0016 Å
b	12.3394 ± 0.001 Å
c	10.9586 ± 0.0008 Å
α	90°
β	101.844 ± 0.006°
γ	90°
Cell volume	2826.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
259566 (current)	2020-12-05	cif/ Adding structures of 1559704, 1559705, 1559706, 1559707, 1559708, 1559709 via cif-deposit CGI script.	1559704.cif