Crystallography Open Database

Information card for entry 1508893

Preview

Coordinates	1508893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H156 F24 N22 Na4 O27 P4
Calculated formula	C98 H155.97 F24 N22 Na4 O27 P4
Title of publication	Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.
Authors of publication	Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	3
Pages of publication	598 - 601
a	16.382 ± 0.005 Å
b	16.382 ± 0.005 Å
c	39.89 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	9271 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1481
Residual factor for significantly intense reflections	0.1436
Weighted residual factors for significantly intense reflections	0.4399
Weighted residual factors for all reflections included in the refinement	0.485
Goodness-of-fit parameter for all reflections included in the refinement	2.29
Diffraction radiation wavelength	0.3006 Å
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.	1508893.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508893.cif
74041	2013-02-21	cif/ Adding structures of 1508893 via cif-deposit CGI script.	1508893.cif