Crystallography Open Database

Information card for entry 7232470

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Coordinates	7232470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 N4 O6
Calculated formula	C34 H46 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	23.393 ± 0.01 Å
b	9.538 ± 0.004 Å
c	15.832 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3532 ± 3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1744
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2404
Weighted residual factors for all reflections included in the refinement	0.2946
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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