Crystallography Open Database

Information card for entry 4029558

Preview

Coordinates	4029558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 O8
Calculated formula	C52 H72 O8
Title of publication	Calix[4]arene derivatives monosubstituted at all four methylene bridges.
Authors of publication	Columbus, Ishay; Biali, Silvio E.
Journal of publication	The Journal of organic chemistry
Year of publication	2008
Journal volume	73
Journal issue	7
Pages of publication	2598 - 2606
a	13.3204 ± 0.0016 Å
b	13.5084 ± 0.0016 Å
c	27.105 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4877.2 ± 1 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.097
Weighted residual factors for significantly intense reflections	0.2381
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	1.208
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
178474 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/95.	4029558.cif
115476	2014-06-03	cif/ Adding structures of 4029558 via cif-deposit CGI script.	4029558.cif