Crystallography Open Database

Information card for entry 1568763

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Coordinates	1568763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C599 H792 F48 N40 O139 P8
Calculated formula	C599 H792 F48 N40 O139 P8
Title of publication	High-affinity single and double helical pseudofoldaxanes with cationic guests.
Authors of publication	Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	18
Pages of publication	4759 - 4768
a	27.6163 ± 0.0005 Å
b	45.0146 ± 0.0005 Å
c	28.506 ± 0.0004 Å
α	90°
β	112.072 ± 0.002°
γ	90°
Cell volume	32839.8 ± 1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1605
Residual factor for significantly intense reflections	0.1342
Weighted residual factors for significantly intense reflections	0.4
Weighted residual factors for all reflections included in the refinement	0.4258
Goodness-of-fit parameter for all reflections included in the refinement	1.726
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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