Crystallography Open Database

Information card for entry 1544649

Preview

Structure parameters

Formula	C19 H35 N3 O7
Calculated formula	C19 H35 N3 O7
SMILES	CC(C)(C)OC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)OC
Title of publication	A self-assembled peptide mimetic of a tubular host and a supramolecular polymer
Authors of publication	Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish
Journal of publication	Polym. Chem.
Year of publication	2017
Journal volume	8
Journal issue	2
Pages of publication	396
a	19.7793 ± 0.0008 Å
b	19.7793 ± 0.0008 Å
c	11.2095 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3797.9 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1544649.cif
191765	2017-02-04	cif/ Updating files of 1544649 Original log message: Adding full bibliography for 1544649.cif.	1544649.cif
188624	2016-11-22	cif/ Adding structures of 1544649 via cif-deposit CGI script.	1544649.cif