Crystallography Open Database

Information card for entry 7240103

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Structure parameters

Formula	C19 H38 N6 O8
Calculated formula	C19 H38 N6 O8
SMILES	O=C(NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N)C)(C)C)C)(C)C)[C@@H](NC(=O)C)C.O.O
Title of publication	Self-assembled hydrophobic Ala-Aib peptide encapsulating curcumin: a convenient system for water insoluble drugs
Authors of publication	Locarno, Silvia; Argentiere, Simona; Ruffoni, Alessandro; Maggioni, Daniela; Soave, Raffaella; Bucci, Raffaella; Erba, Emanuela; Lenardi, Cristina; Gelmi, Maria Luisa; Clerici, Francesca
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	17
Pages of publication	9964 - 9975
a	10.156 ± 0.002 Å
b	11.413 ± 0.002 Å
c	11.888 ± 0.002 Å
α	90°
β	111.69 ± 0.03°
γ	90°
Cell volume	1280.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0931
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240103.cif
258047	2020-10-06	cif/ Updating files of 7240103 Original log message: Adding full bibliography for 7240103.cif.	7240103.cif
249225	2020-03-10	cif/ Adding structures of 7240103 via cif-deposit CGI script.	7240103.cif