Crystallography Open Database

Information card for entry 7232473

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Coordinates	7232473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H46 F6 I3 N4 O6
Calculated formula	C43 H46 F6 I3 N4 O6
Title of publication	Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers
Authors of publication	Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	16
Pages of publication	2626
a	9.3189 ± 0.0003 Å
b	16.8147 ± 0.0005 Å
c	18.319 ± 0.0006 Å
α	116.249 ± 0.001°
β	96.238 ± 0.001°
γ	100.841 ± 0.001°
Cell volume	2467.84 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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