Crystallography Open Database

Information card for entry 1504710

Preview

Coordinates	1504710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 N9.33
Calculated formula	C28 H28 N9.33333
Title of publication	Synthesis of large macrocyclic azacalix[n]pyridines (n = 6 - 9) and their complexation with fullerenes C(60) and C(70).
Authors of publication	Zhang, En-Xuan; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	12
Pages of publication	2565 - 2568
a	27.601 ± 0.006 Å
b	15.053 ± 0.003 Å
c	9.1793 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3813.8 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1327
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2093
Weighted residual factors for all reflections included in the refinement	0.2369
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	1504710.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504710.cif
42304	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504710 via cif-deposit CGI script.	1504710.cif