Crystallography Open Database

Information card for entry 1514336

Preview

Coordinates	1514336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.25 H74.5 N6 O16
Calculated formula	C61 H75 N6 O16
Title of publication	Assessing Stabilization through π-π Interactions in Aromatic Oligoamide β-Sheet Foldamers.
Authors of publication	Sebaoun, Laure; Kauffmann, Brice; Delclos, Thomas; Maurizot, Victor; Huc, Ivan
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	9
Pages of publication	2326 - 2329
a	10.604 ± 0.002 Å
b	23.472 ± 0.005 Å
c	27.553 ± 0.006 Å
α	77.89 ± 0.03°
β	83.86 ± 0.03°
γ	80.29 ± 0.03°
Cell volume	6591 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3048
Residual factor for significantly intense reflections	0.22
Weighted residual factors for significantly intense reflections	0.4951
Weighted residual factors for all reflections included in the refinement	0.5396
Goodness-of-fit parameter for all reflections included in the refinement	1.498
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1514336.cif
112821	2014-05-04	cif/ Updating files of 1514336, 1514337 Original log message: Adding full bibliography for 1514336--1514337.cif.	1514336.cif
109484	2014-04-15	cif/ Adding structures of 1514336 via cif-deposit CGI script.	1514336.cif