Crystallography Open Database

Information card for entry 1503440

Preview

Coordinates	1503440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.71 H55.01 N3.86 O12.14
Calculated formula	C45.712 H55.008 N3.856 O12.144
Title of publication	Photoresponsive host-guest systems based on a new azobenzene-containing cryptand.
Authors of publication	Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	2558 - 2561
a	18.093 ± 0.004 Å
b	9.0114 ± 0.0018 Å
c	28.029 ± 0.006 Å
α	90°
β	101.57 ± 0.03°
γ	90°
Cell volume	4477.1 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
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.	1503440.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503440.cif
37312	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503440, 1503441 via cif-deposit CGI script.	1503440.cif