Crystallography Open Database

Information card for entry 7052062

7052061 << 7052062 >> 7052063

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Coordinates	7052062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H58 Cl N O14
Calculated formula	C41 H58 Cl N O14
Title of publication	Complexation of C-methyl pyrogallarene with small quaternary and tertiary alkyl ammonium cations
Authors of publication	Antti Åhman; Minna Luostarinen; Kari Rissanen; Maija Nissinen
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	1
Pages of publication	169
a	21.2275 ± 0.0011 Å
b	25.3429 ± 0.0013 Å
c	17.9561 ± 0.0005 Å
α	90°
β	122.883 ± 0.002°
γ	90°
Cell volume	8112.1 ± 0.7 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.153
Residual factor for significantly intense reflections	0.1021
Weighted residual factors for significantly intense reflections	0.2296
Weighted residual factors for all reflections included in the refinement	0.2541
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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