Crystallography Open Database

Information card for entry 7112140

Preview

Coordinates	7112140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.34 H87.2 N8.67 O6.59
Calculated formula	C71.344 H87.2 N8.672 O6.592
Title of publication	Macrocyclic arylopeptoids ‒ a novel type of cyclic N-alkylated aromatic oligoamides forming nanotubular assemblies
Authors of publication	Thomas Hjelmgaard; Olivier Roy; Lionel Nauton; Malika El-Ghozzi; Daniel Avignant; Claude Didierjean; Claude Taillefumier; Sophie Faure
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3564
a	33.119 ± 0.002 Å
b	14.712 ± 0.003 Å
c	27.909 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	13599 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1524
Residual factor for significantly intense reflections	0.114
Weighted residual factors for significantly intense reflections	0.229
Weighted residual factors for all reflections included in the refinement	0.2466
Goodness-of-fit parameter for all reflections included in the refinement	1.226
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112140.cif
105906	2014-03-14	cif/ Adding structures of 7112138, 7112139, 7112140 via cif-deposit CGI script.	7112140.cif