Crystallography Open Database

Information card for entry 4518839

Preview

Coordinates	4518839.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DBFTCQ
Formula	C23 H11 Cl4 O2
Calculated formula	C23 H11 Cl4 O2
Title of publication	Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.
Authors of publication	Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2021
a	7.3722 ± 0.0005 Å
b	9.069 ± 0.001 Å
c	14.8974 ± 0.0014 Å
α	94.027 ± 0.009°
β	99.706 ± 0.007°
γ	91.048 ± 0.007°
Cell volume	978.88 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1182
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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