Crystallography Open Database

Information card for entry 4122237

Preview

Coordinates	4122237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.5 H21 Cl3 N8 O2
Calculated formula	C20.5 H20 Cl3 N8 O2
Title of publication	A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms
Authors of publication	Wang, Mei-Xiang; Yang, Hai-Bo
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Journal issue	47
Pages of publication	15412
a	8.8051 ± 0.0001 Å
b	11.2289 ± 0.0005 Å
c	11.8862 ± 0.0006 Å
α	87.871 ± 0.006°
β	72.449 ± 0.003°
γ	78.862 ± 0.004°
Cell volume	1099.12 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1384
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	0.876
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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