Crystallography Open Database

Information card for entry 7220690

7220689 << 7220690 >> 7220691

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Structure parameters

Formula	C30 H41 N3 O6
Calculated formula	C30 H41 N3 O6
SMILES	CC(OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC)(C)C
Title of publication	Sonication-induced instant fibrillation and fluorescent labeling of tripeptide fibers
Authors of publication	Pramanik, Apurba; Paikar, Arpita; HALDAR, DEBASISH
Journal of publication	RSC Adv.
Year of publication	2015
a	9.3 ± 0.003 Å
b	16.864 ± 0.005 Å
c	19.266 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3021.6 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1374
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220690.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220690.cif
138344	2015-06-05	cif/ Adding structures of 7220690 via cif-deposit CGI script.	7220690.cif