Crystallography Open Database

Information card for entry 1505770

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Structure parameters

Formula	C71 H85 Cl3 O4
Calculated formula	C71 H85 Cl3 O4
SMILES	O(c1c2cc(cc1Cc1c(OCc3ccccc3)c(Cc3c(OCCCCC#C)c(Cc4c(OCc5ccccc5)c(C2)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)cc(c1)C(C)(C)C)C(C)(C)C)CCCCC#C.C(Cl)(Cl)Cl
Title of publication	Main-Chain Calixarene Polymers: Conformational Effects on Polymerization
Authors of publication	Yang, Yong; Swager, Timothy M.
Journal of publication	Macromolecules
Year of publication	2006
Journal volume	39
Journal issue	6
Pages of publication	2013
a	16.6918 ± 0.0008 Å
b	20.6408 ± 0.001 Å
c	37.0204 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	12754.7 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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