Crystallography Open Database

Information card for entry 7155048

Preview

Coordinates	7155048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H52 N4 O9
Calculated formula	C32 H52 N4 O9
SMILES	O(C(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)CC1(CCCCC1)CNC(=O)OC(C)(C)C)(C)C)Cc1ccc(O)cc1)(C)C)C.O
Title of publication	Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.
Authors of publication	Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	17
Pages of publication	4089 - 4102
a	11.493 ± 0.002 Å
b	17.104 ± 0.003 Å
c	18.432 ± 0.004 Å
α	90°
β	103.96 ± 0.03°
γ	90°
Cell volume	3516.3 ± 1.2 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194155 (current)	2017-03-10	cif/7 Fixing some Z values and formulae.	7155048.cif
182790	2016-05-06	cif/ Updating files of 7155047, 7155048, 7155049 Original log message: Adding full bibliography for 7155047--7155049.cif.	7155048.cif
179705	2016-03-25	cif/ Adding structures of 7155047, 7155048 via cif-deposit CGI script.	7155048.cif