Crystallography Open Database

Information card for entry 2023483

2023482 << 2023483 >> 2023484

Preview

Coordinates	2023483.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	6,16,25(1,4)-Tribenzena-1,4,8,11,14,18,23,27-octaazabicyclo[9.9.9]nonacosaphane-4,7,14,17,23,26-hexaene hexahydrate
Formula	C36 H54 N8 O6
Calculated formula	C36 H54 N8 O6
Title of publication	Rapid and facile one-step microwave synthesis of macrobicyclic cryptands.
Authors of publication	Baisch, Ulrich; Scicluna, Marie Christine; Vella-Zarb, Liana
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	448 - 451
a	14.5942 ± 0.0002 Å
b	14.5942 ± 0.0002 Å
c	15.4565 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2851.03 ± 0.07 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.64066 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299929 (current)	2025-06-03	cif/ Updating files of 2023483 Original log message: Adding full bibliography for 2023483.cif.	2023483.cif
299462	2025-04-30	cif/ Adding structures of 2023483 via cif-deposit CGI script.	2023483.cif