Crystallography Open Database

Information card for entry 4023911

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Coordinates	4023911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H96 Cl6 N6 O12
Calculated formula	C76 H96 Cl6 N6 O12
Title of publication	Hydrogen Bonding-Directed Multicomponent Dynamic Covalent Assembly of Mono- and Bimacrocycles. Self-Sorting and Macrocycle Exchange
Authors of publication	Jian-Bin Lin; Xiao-Na Xu; Xi-Kui Jiang; Zhan-Ting Li
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	9403 - 9410
a	11.885 ± 0.003 Å
b	14.33 ± 0.004 Å
c	14.588 ± 0.004 Å
α	61.422 ± 0.005°
β	73.105 ± 0.005°
γ	68.882 ± 0.005°
Cell volume	2014 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1208
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.2045
Goodness-of-fit parameter for all reflections included in the refinement	0.921
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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