Crystallography Open Database

Information card for entry 1541908

1541907 << 1541908 >> 1541909

Preview

Coordinates	1541908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H74 N2 O8 S
Calculated formula	C51 H74 N2 O8 S
SMILES	s1c(C2C(=O)NC(=O)N(C=2)[C@@H]2O[C@@H]([C@@H](OC(=O)CCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCC)CO)cc2c1cccc2.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	5.4174 ± 0.0005 Å
b	9.3296 ± 0.0009 Å
c	24.033 ± 0.002 Å
α	95.858 ± 0.002°
β	92.994 ± 0.002°
γ	93.33 ± 0.002°
Cell volume	1204.23 ± 0.19 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	0.0918
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1541908.cif
177883	2016-03-05	cif/ Updating files of 1541907, 1541908, 1541909, 1541910 Original log message: Adding full bibliography for 1541907--1541910.cif.	1541908.cif
173551	2016-01-06	cif/ Adding structures of 1541908 via cif-deposit CGI script.	1541908.cif