Crystallography Open Database

Information card for entry 4026330

Preview

Coordinates	4026330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.3 H82.2 Cl3 O6.3
Calculated formula	C67.3 H82.2 Cl3 O6.3
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	12.9147 ± 0.001 Å
b	14.1631 ± 0.0011 Å
c	17.6459 ± 0.0014 Å
α	88.827 ± 0.001°
β	73.188 ± 0.001°
γ	81.017 ± 0.001°
Cell volume	3050.8 ± 0.4 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	0.0807
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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