Crystallography Open Database

Information card for entry 7052446

Preview

Coordinates	7052446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H88 Br4 N4 O11
Calculated formula	C55 H88 Br4 N4 O11
Title of publication	Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations
Authors of publication	Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	116
a	12.4513 ± 0.0002 Å
b	13.6703 ± 0.0002 Å
c	19.7836 ± 0.0004 Å
α	71.716 ± 0.005°
β	79.631 ± 0.005°
γ	72.394 ± 0.001°
Cell volume	3034.14 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7052446.html