Crystallography Open Database

Information card for entry 1541907

1541906 << 1541907 >> 1541908

Preview

Coordinates	1541907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H82 N2 O8 S
Calculated formula	C55 H82 N2 O8 S
SMILES	s1c2c(cccc2)cc1C1C(=O)NC(=O)N(C=1)[C@@H]1O[C@@H]([C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCC)CO.c1ccccc1
Title of publication	Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.
Authors of publication	Nuthanakanti, Ashok; Srivatsan, Seergazhi G.
Journal of publication	Nanoscale
Year of publication	2016
Journal volume	8
Journal issue	6
Pages of publication	3607 - 3619
a	5.385 ± 0.008 Å
b	9.274 ± 0.013 Å
c	25.69 ± 0.04 Å
α	92.65 ± 0.02°
β	95.509 ± 0.019°
γ	93.348 ± 0.02°
Cell volume	1273 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.2437
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.2511
Weighted residual factors for all reflections included in the refinement	0.3229
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
177883 (current)	2016-03-05	cif/ Updating files of 1541907, 1541908, 1541909, 1541910 Original log message: Adding full bibliography for 1541907--1541910.cif.	1541907.cif
173550	2016-01-06	cif/ Adding structures of 1541907 via cif-deposit CGI script.	1541907.cif