Crystallography Open Database

Information card for entry 1502841

Preview

Coordinates	1502841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H179 N15 O12 P2
Calculated formula	C118 H179 N15 O12 P2
Title of publication	7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol.
Authors of publication	Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	5
Pages of publication	1076 - 1078
a	18.2601 ± 0.0007 Å
b	12.6607 ± 0.0004 Å
c	24.7388 ± 0.0008 Å
α	90°
β	93.657 ± 0.003°
γ	90°
Cell volume	5707.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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.	1502841.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502841.cif
36800	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502841 via cif-deposit CGI script.	1502841.cif