Crystallography Open Database

Information card for entry 1507468

Preview

Coordinates	1507468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H89 Cl6 N5 O8
Calculated formula	C64 H89 Cl6 N5 O8
Title of publication	Complexation of Small Molecules by Open-Ended Resorcarene Hosts
Authors of publication	Falábu, Dezsö; Shivanyuk, Alexander; Nissinen, Maija; Rissanen, Kari
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	18
Pages of publication	3019
a	12.621 ± 0.004 Å
b	22.358 ± 0.004 Å
c	23.335 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	6585 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1772
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.	1507468.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507468.cif
53989	2012-04-20	cif/ Adding structures of 1507468 via cif-deposit CGI script.	1507468.cif