Crystallography Open Database

Information card for entry 7133620

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Coordinates	7133620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H44 Cl6 N8 O6
Calculated formula	C38 H44 Cl6 N8 O6
Title of publication	Polar organic cages for efficiently separating azeotropic mixtures.
Authors of publication	Alimi, Lukman O.; Liu, Xin; Zhang, Gengwu; Moosa, Basem; Khashab, Niveen M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	77
Pages of publication	10768 - 10771
a	19.3748 ± 0.0003 Å
b	14.5735 ± 0.0002 Å
c	16.486 ± 0.0002 Å
α	90°
β	115.758 ± 0.001°
γ	90°
Cell volume	4192.44 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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