Crystallography Open Database

Information card for entry 1506305

Preview

Coordinates	1506305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.38 H37 Cl2.76 N10 O2
Calculated formula	C46.378 H37 Cl2.756 N10 O2
Title of publication	Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.
Authors of publication	Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	26
Pages of publication	5967 - 5970
a	16.654 ± 0.003 Å
b	17.694 ± 0.004 Å
c	17.91 ± 0.004 Å
α	77.62 ± 0.03°
β	64.1 ± 0.03°
γ	89.91 ± 0.03°
Cell volume	4612 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.208
Residual factor for significantly intense reflections	0.1485
Weighted residual factors for significantly intense reflections	0.4639
Weighted residual factors for all reflections included in the refinement	0.483
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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.	1506305.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506305.cif
48173	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506305 via cif-deposit CGI script.	1506305.cif