Crystallography Open Database

Information card for entry 4026328

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Coordinates	4026328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H62 F6 O8
Calculated formula	C52 H62 F6 O8.4
Title of publication	Calix[4]arenes with Two Different Chemical Modifications at the Bridges
Authors of publication	Lev Kuno; Silvio E. Biali
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	3664 - 3675
a	9.1686 ± 0.0006 Å
b	10.181 ± 0.0007 Å
c	15.1314 ± 0.001 Å
α	74.467 ± 0.001°
β	76.682 ± 0.001°
γ	69.341 ± 0.001°
Cell volume	1258.81 ± 0.15 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 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	0.0494
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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