Crystallography Open Database

Information card for entry 1571307

Preview

Coordinates	1571307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 O4
Calculated formula	C26 H28 O4
SMILES	O(c1cc2/C(=C3\C(Cc4cc(C=O)c(OC)cc34)(C)C)C(C)(C)Cc2cc1C=O)C
Title of publication	All-visible-light-driven stiff-stilbene photoswitches.
Authors of publication	Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	18
Pages of publication	6763 - 6769
a	9.6167 ± 0.0008 Å
b	12.0209 ± 0.001 Å
c	18.8367 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2177.5 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571307.html