Crystallography Open Database

Information card for entry 7113333

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Coordinates	7113333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 F6 I N O
Calculated formula	C24 H27 F6 I N O
Title of publication	Fluorinated liquid crystals formed by halogen bonding.
Authors of publication	Metrangolo, Pierangelo; Präsang, Carsten; Resnati, Giuseppe; Liantonio, Rosalba; Whitwood, Adrian C.; Bruce, Duncan W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2006
Journal issue	31
Pages of publication	3290 - 3292
a	7.9751 ± 0.0004 Å
b	12.3703 ± 0.0006 Å
c	12.7345 ± 0.0006 Å
α	105.832 ± 0.001°
β	97.487 ± 0.001°
γ	96.492 ± 0.001°
Cell volume	1183.72 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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