Crystallography Open Database

Information card for entry 7052449

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Coordinates	7052449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H107 Br3 N3 O10
Calculated formula	C66 H105 Br3 N3 O10
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	53.256 ± 0.0008 Å
b	12.649 ± 0.0003 Å
c	20.5761 ± 0.0007 Å
α	90°
β	97.955 ± 0.001°
γ	90°
Cell volume	13727.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.145
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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