Crystallography Open Database

Information card for entry 1506267

Preview

Coordinates	1506267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H84 F12 K2 N2 O15 P2
Calculated formula	C60 H84 F12 K2 N2 O15 P2
Title of publication	Novel tetramethoxy resorcinarene bis-crown ethers.
Authors of publication	Salorinne, Kirsi; Nissinen, Maija
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	24
Pages of publication	5473 - 5476
a	17.3738 ± 0.0006 Å
b	15.9352 ± 0.0005 Å
c	24.4132 ± 0.0008 Å
α	90°
β	91.8 ± 0.002°
γ	90°
Cell volume	6755.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506267.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506267.cif
48137	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506265, 1506266, 1506267, 1506268, 1506269 via cif-deposit CGI script.	1506267.cif