Crystallography Open Database

Information card for entry 4023996

Preview

Coordinates	4023996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 N8 O14
Calculated formula	C48 H50 N8 O14
Title of publication	Synthesis and Structure of Upper-Rim 1,3-Alternate Tetraoxacalix[2]arene[2]triazine Azacrowns and Change of Cavity in Response to Fluoride Anion
Authors of publication	Bao-Yong Hou; De-Xian Wang; Hai-Bo Yang; Qi-Yu Zheng; Mei-Xiang Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	5218 - 5226
a	24.154 ± 0.005 Å
b	13.507 ± 0.003 Å
c	18.307 ± 0.004 Å
α	90°
β	119.35 ± 0.03°
γ	90°
Cell volume	5206 ± 1.8 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	0.4487
Residual factor for significantly intense reflections	0.2236
Weighted residual factors for significantly intense reflections	0.5351
Weighted residual factors for all reflections included in the refinement	0.6645
Goodness-of-fit parameter for all reflections included in the refinement	1.471
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4023996.html