Crystallography Open Database

Information card for entry 2023487

2023486 << 2023487 >> 2023488

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Coordinates	2023487.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Perethoxy-prism[6]arene 1,6-dichlorohexane disolvate
Formula	C102 H120 Cl4 O12
Calculated formula	C102 H120 Cl4 O12
Title of publication	Crystal structures and supramolecular interactions of prism[6]arene-based host–guest systems with dihalohexanes
Authors of publication	Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	6
a	38.722 ± 0.003 Å
b	10.4622 ± 0.0007 Å
c	23.891 ± 0.0016 Å
α	90°
β	106.978 ± 0.008°
γ	90°
Cell volume	9256.8 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1611
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1866
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299502 (current)	2025-05-03	cif/ Adding structures of 2023487, 2023488 via cif-deposit CGI script.	2023487.cif