Crystallography Open Database

Information card for entry 4024857

Preview

Coordinates	4024857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H110 O10
Calculated formula	C75 H110 O10
Title of publication	Incorporation of Substituents at the Methylene Linkages of the Calix[5]arene Skeleton
Authors of publication	Katerina Kogan; Silvio E. Biali
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	7172 - 7175
a	15.4464 ± 0.0011 Å
b	16.094 ± 0.0012 Å
c	16.5413 ± 0.0012 Å
α	90.307 ± 0.001°
β	102.042 ± 0.001°
γ	115.366 ± 0.001°
Cell volume	3612.9 ± 0.5 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1911
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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