Crystallography Open Database

Information card for entry 7216078

Preview

Coordinates	7216078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H51.12 O9.56
Calculated formula	C38 H44 O9.56083
Title of publication	Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture
Authors of publication	Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	73
Pages of publication	449
a	36.412 ± 0.004 Å
b	36.412 ± 0.004 Å
c	36.412 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	48276 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	222
Hermann-Mauguin space group symbol	P n -3 n :2
Hall space group symbol	-P 4a 2bc 3
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.104
Weighted residual factors for significantly intense reflections	0.3804
Weighted residual factors for all reflections included in the refinement	0.3841
Goodness-of-fit parameter for all reflections included in the refinement	2.105
Diffraction radiation wavelength	0.93931 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216078.cif
114334	2014-05-23	cif/ Adding structures of 7216078 via cif-deposit CGI script.	7216078.cif