Crystallography Open Database

Information card for entry 7009781

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Structure parameters

Formula	C40 H42 N0 O10
Calculated formula	C40 H42 O10
SMILES	c12cccc(c1O)Cc1cccc(c1OCC(=O)OCC)Cc1cccc(c1OCC(=O)OCC)Cc1cccc(c1OCC(=O)OCC)C2
Title of publication	Alkali metal cation cooperative anion recognition by heteroditopic bis(calix[4]arene) rhenium(I) bipyridyl and ferrocene receptor molecules
Authors of publication	Cooper, James B.; Drew, Michael G. B.; Beer, Paul D.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2721
a	10.509 ± 0.014 Å
b	16.364 ± 0.017 Å
c	20.06 ± 0.02 Å
α	90°
β	94.735 ± 0.01°
γ	90°
Cell volume	3438 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1358
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2401
Weighted residual factors for all reflections included in the refinement	0.2841
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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