Crystallography Open Database

Information card for entry 7052451

Preview

Coordinates	7052451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H140 Br N O10.5
Calculated formula	C87 H137.5 Br N O10.5
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	9.8246 ± 0.0001 Å
b	15.7155 ± 0.0002 Å
c	26.8439 ± 0.0004 Å
α	91.387 ± 0.001°
β	91.438 ± 0.001°
γ	92.686 ± 0.001°
Cell volume	4137.46 ± 0.09 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	0.1194
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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/7052451.html