Crystallography Open Database

Information card for entry 4122241

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Structure parameters

Formula	C22 H20 Cl2 N10
Calculated formula	C22 H20 Cl2 N10
SMILES	n1c2N(c3cccc(c3)N(c3nc(nc(N(c4cccc(c4)N(c(nc1Cl)n2)C)C)n3)Cl)C)C
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	20.305 ± 0.007 Å
b	9.995 ± 0.004 Å
c	12.001 ± 0.004 Å
α	90°
β	107.289 ± 0.005°
γ	90°
Cell volume	2325.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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