Crystallography Open Database

Information card for entry 7150741

Preview

Coordinates	7150741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H70 O13
Calculated formula	C50 H70 O13
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	10.8389 ± 0.0001 Å
b	14.9945 ± 0.0001 Å
c	16.0372 ± 0.0001 Å
α	74.018 ± 0.001°
β	70.853 ± 0.001°
γ	86.719 ± 0.001°
Cell volume	2365.5 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180293 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07.	7150741.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150741.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150741.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150741.cif