Crystallography Open Database

Information card for entry 1571305

Preview

Coordinates	1571305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 O2
Calculated formula	C24 H28 O2
SMILES	C1(/c2cc(OC)ccc2CC1(C)C)=C1\c2cc(OC)ccc2CC1(C)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	11.361 ± 0.004 Å
b	20.063 ± 0.007 Å
c	9.862 ± 0.004 Å
α	90°
β	116.079 ± 0.016°
γ	90°
Cell volume	2019 ± 1.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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