Crystallography Open Database

Information card for entry 1504159

Preview

Coordinates	1504159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H59 I2 N14 O11.5
Calculated formula	C46 H48 I2 N14 O11.5
Title of publication	Glycoluril trimers: selective synthesis and supramolecular properties.
Authors of publication	Stancl, Marek; Hodan, Martin; Sindelar, Vladimir
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	18
Pages of publication	4184 - 4187
a	15.4095 ± 0.0002 Å
b	13.0685 ± 0.0003 Å
c	25.1488 ± 0.0004 Å
α	90°
β	94.613 ± 0.001°
γ	90°
Cell volume	5048.04 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504159.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504159.cif
39422	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504158, 1504159, 1504160, 1504161, 1504162 via cif-deposit CGI script.	1504159.cif