Crystallography Open Database

Information card for entry 8000189

Preview

Coordinates	8000189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H34 O9
Calculated formula	C35 H34 O9
Title of publication	Novel Hydrophilic Cages Based on Acetone Complex with Calix[4]arene Dimethoxycarboxylic Acid
Authors of publication	Xie, Zhao-Yang; Hou, Nai-Tao; Zhu, Yi-Zhou; Song, Hai-Bin; Zheng, Jian-Yu
Journal of publication	Chemistry Letters
Year of publication	2008
Journal volume	37
Journal issue	4
Pages of publication	478
a	16.62 ± 0.006 Å
b	9.987 ± 0.004 Å
c	17.906 ± 0.007 Å
α	90°
β	91.421 ± 0.007°
γ	90°
Cell volume	2971 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.1618
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8000189.html