Crystallography Open Database

Information card for entry 7116516

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Coordinates	7116516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H88 N O16
Calculated formula	C64 H80 N O15.5
Title of publication	The marriage of endo-cavity and exo-wall complexation provides a facile strategy for supramolecular polymerization
Authors of publication	Shilu Wang; Yiliang Wang; Zhenxia Chen; Yuejian Lin; Linhong Weng; Kang Han; Jian Li; Xueshun Jia; Chunju Li
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	3434
a	12.306 ± 0.007 Å
b	12.532 ± 0.007 Å
c	25.592 ± 0.014 Å
α	95.097 ± 0.008°
β	99.985 ± 0.008°
γ	107.517 ± 0.008°
Cell volume	3665 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2598
Residual factor for significantly intense reflections	0.1742
Weighted residual factors for significantly intense reflections	0.4488
Weighted residual factors for all reflections included in the refinement	0.5059
Goodness-of-fit parameter for all reflections included in the refinement	1.521
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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