Crystallography Open Database

Information card for entry 7131663

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Coordinates	7131663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H84 N8 O12
Calculated formula	C64 H84 N8 O12
Title of publication	Selective adsorption of trace morpholine impurities over <i>N</i>-ethyl morpholine by tetralactam solids.
Authors of publication	Li, Shi-Yao; Yao, Huan; Hu, Hao; Chen, Wen-Jie; Yang, Liu-Pan; Wang, Li-Li
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	47
Pages of publication	7204 - 7207
a	11.4061 ± 0.0007 Å
b	11.5234 ± 0.0008 Å
c	13.0536 ± 0.0009 Å
α	84.464 ± 0.003°
β	65.455 ± 0.003°
γ	74.125 ± 0.003°
Cell volume	1500.87 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0894
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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