Crystallography Open Database

Information card for entry 7204191

7204190 << 7204191 >> 7204192

Preview

Structure parameters

Formula	C58 H86 O10 P2
Calculated formula	C58 H86 O10 P2
SMILES	P(=O)(OCC)(OCC)CCCOc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)C)c5O)C(C)(C)C)c4OCCCP(=O)(OCC)OCC)C(C)(C)C)c3O)C(C)(C)C
Title of publication	Synthesis, characterisation and extraction behaviour of calix[4]arene-based phosphonic acidsElectronic supplementary information (ESI) available: Tables S1‒S3 and Figs. S1 and S2. See http://www.rsc.org/suppdata/p2/b1/b105489a/
Authors of publication	Jurečka, Petr; Vojtíšek, Pavel; Novotný, Karel; Rohovec, Jan; Lukeš, Ivan
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2002
Journal issue	7
Pages of publication	1370
a	11.994 ± 0.002 Å
b	12.123 ± 0.002 Å
c	21.235 ± 0.005 Å
α	102.455 ± 0.016°
β	93.036 ± 0.018°
γ	93.847 ± 0.015°
Cell volume	3001 ± 1 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	180 ± 1 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	0.1578
Residual factor for significantly intense reflections	0.1241
Weighted residual factors for significantly intense reflections	0.3681
Weighted residual factors for all reflections included in the refinement	0.3884
Goodness-of-fit parameter for all reflections included in the refinement	1.565
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7204191.html