Crystallography Open Database

Information card for entry 1514023

Preview

Coordinates	1514023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.25 H37 N2 O6.25
Calculated formula	C42.25 H37.02 N2 O6.25
Title of publication	Capping the upper and lower rims of calix[4]arenes by aryl dinitrile oxide reactions
Authors of publication	Ya-Jiun Shiao; Pei-Chen Chiang; Annamalai Senthilvelan; Ming-Tsung Tsai; Gene-Hsiang Lee; Wen-Sheng Chung
Journal of publication	Tetrahedron Letters
Year of publication	2006
Journal volume	47
Journal issue	47
Pages of publication	8383 - 8386
a	9.6377 ± 0.0002 Å
b	9.6377 ± 0.0002 Å
c	35.9818 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3342.18 ± 0.12 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514023.cif
108063	2014-03-26	cif/ Adding structures of 1514022, 1514023, 1514024 via cif-deposit CGI script.	1514023.cif