Crystallography Open Database

Information card for entry 4029900

Preview

Coordinates	4029900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 N2 O7
Calculated formula	C48 H56 N2 O7
Title of publication	Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.
Authors of publication	Shalev, Ori; Biali, Silvio E.
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	18
Pages of publication	8584 - 8591
a	9.731 ± 0.003 Å
b	9.869 ± 0.002 Å
c	12.3 ± 0.002 Å
α	71.031 ± 0.002°
β	73.507 ± 0.002°
γ	78.962 ± 0.003°
Cell volume	1064.7 ± 0.4 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.1947
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.239
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178478 (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 4/02/99.	4029900.cif
124790	2014-10-06	cif/ Updating files of 4029900, 4029901, 4029902 Original log message: Adding full bibliography for 4029900--4029902.cif.	4029900.cif
122678	2014-08-31	cif/ Adding structures of 4029900 via cif-deposit CGI script.	4029900.cif