Crystallography Open Database

Information card for entry 7202283

7202282 << 7202283 >> 7202284

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Coordinates	7202283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96.5 H142 Br N O24
Calculated formula	C96.5 H142 Br N O24
Title of publication	The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts
Authors of publication	Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	12
Pages of publication	1803
a	17.7258 ± 0.0004 Å
b	17.7258 ± 0.0004 Å
c	33.5699 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10547.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.1359
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2376
Weighted residual factors for all reflections included in the refinement	0.2768
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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