Crystallography Open Database

Information card for entry 1515754

Preview

Coordinates	1515754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H55 N5 O8
Calculated formula	C38 H55 N5 O8
SMILES	N(C(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)CC(C)C)(C)C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)NC(C)(C)C(=O)OC)Cc1ccccc1
Title of publication	Mesoporous vesicles from supramolecular helical peptide as drug carrier
Authors of publication	Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Haldar, Debasish
Journal of publication	Soft Matter
Year of publication	2011
Journal volume	7
Journal issue	21
Pages of publication	10174
a	10.9741 ± 0.0008 Å
b	10.9741 ± 0.0008 Å
c	59.527 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	6208.4 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0923
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.225
Weighted residual factors for all reflections included in the refinement	0.2449
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515754.cif
112004	2014-04-28	cif/ Adding structures of 1515754 via cif-deposit CGI script.	1515754.cif