Crystallography Open Database

Information card for entry 7200487

7200486 << 7200487 >> 7200488

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Coordinates	7200487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H108 Cl N5 O16
Calculated formula	C99 H107 Cl N4 O16
Title of publication	Self-assembly of heteroditopic calix[4]arene capsules through ion-pair recognition
Authors of publication	Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	2
Pages of publication	239
a	10.241 ± 0.0008 Å
b	25.067 ± 0.0019 Å
c	17.916 ± 0.0014 Å
α	90°
β	102.304 ± 0.014°
γ	90°
Cell volume	4493.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1598
Residual factor for significantly intense reflections	0.1049
Weighted residual factors for significantly intense reflections	0.3235
Weighted residual factors for all reflections included in the refinement	0.3624
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180335 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/04.	7200487.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200487.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200487.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200487.cif