Crystallography Open Database

Information card for entry 7115184

Preview

Coordinates	7115184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H112 F24 N8 O12 P4
Calculated formula	C107.5 H99.73 F24 N8 O19.5 P4
Title of publication	Novel cavitands containing electrochemically active 4,4′-bipyridinium subunits
Authors of publication	Peinador, Carlos; Román, Esteban; Kaifer, Angel E.; Abboud, Khalil
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	18
Pages of publication	1887
a	17.9704 ± 0.0009 Å
b	18.3237 ± 0.0009 Å
c	19.771 ± 0.001 Å
α	67.629 ± 0.001°
β	67.447 ± 0.001°
γ	78.767 ± 0.001°
Cell volume	5550.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1552
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.2058
Weighted residual factors for all reflections included in the refinement	0.2365
Goodness-of-fit parameter for all reflections included in the refinement	1.295
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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