Crystallography Open Database

Information card for entry 7246791

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Coordinates	7246791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H62 Cl6 O8
Calculated formula	C72 H62 Cl6 O8
Title of publication	Water soluble macrocyclic host for recognition of N-methylquinolinium salts in water
Authors of publication	Tian, Yuan-Hong; Qin, Han; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	21
Pages of publication	14539 - 14542
a	10.428 ± 0.006 Å
b	30.79 ± 0.016 Å
c	11.823 ± 0.006 Å
α	90°
β	98.347 ± 0.005°
γ	90°
Cell volume	3756 ± 3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
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	0.19
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.2601
Weighted residual factors for all reflections included in the refinement	0.3254
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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