Crystallography Open Database

Information card for entry 2023116

2023115 << 2023116 >> 2023117

Preview

Coordinates	2023116.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	25,27-Bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene
Formula	C32 H28 Br2 N6 O4
Calculated formula	C32 H28 Br2 N6 O4
Title of publication	Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene
Authors of publication	Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	6
a	36.3261 ± 0.0007 Å
b	36.3261 ± 0.0007 Å
c	12.1054 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	13834 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291490 (current)	2024-05-04	cif/ Adding structures of 2023114, 2023115, 2023116 via cif-deposit CGI script.	2023116.cif