Crystallography Open Database

Information card for entry 7150742

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Coordinates	7150742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H74 N4 O11
Calculated formula	C56 H74 N4 O11
Title of publication	Synthesis and structure of mono-bridged resorcinarene host: a ditopic receptor for ammonium guests
Authors of publication	Salorinne, Kirsi; Tero, Tiia-Riikka; Riikonen, Kaisa; Nissinen, Maija
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	20
Pages of publication	4211 - 4217
a	10.8272 ± 0.0004 Å
b	16.307 ± 0.0005 Å
c	17.0285 ± 0.0008 Å
α	72.658 ± 0.002°
β	81.115 ± 0.002°
γ	70.302 ± 0.003°
Cell volume	2697.05 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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