Crystallography Open Database

Information card for entry 7237558

Preview

Coordinates	7237558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H28 F10 O4
Calculated formula	C48 H28 F10 O4
Title of publication	Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions
Authors of publication	Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	5
Pages of publication	1198
a	12.0511 ± 0.0011 Å
b	12.6535 ± 0.0011 Å
c	14.0972 ± 0.0012 Å
α	68.452 ± 0.002°
β	76.554 ± 0.002°
γ	74.515 ± 0.002°
Cell volume	1905 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
237768 (current)	2019-11-24	cif/ Adding structures of 7237551, 7237552, 7237553, 7237554, 7237555, 7237556, 7237557, 7237558, 7237559 via cif-deposit CGI script.	7237558.cif