Crystallography Open Database

Information card for entry 4514529

Preview

Coordinates	4514529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H54 B F2 N3 O5
Calculated formula	C37 H54 B F2 N3 O5
SMILES	C1(CCCCC1)N1C(=O)N(C2CCCCC2)C(=O)C2=C1O[B]([O]=C2/C=C/c1ccc(cc1OCCCCCCCC)N(CC)CC)(F)F
Title of publication	Optimizing the Fluorescence Properties of Nanoemulsions for Single Particle Tracking in Live Cells.
Authors of publication	Wang, Xinyue; Anton, Nicolas; Ashokkumar, Pichandi; Anton, Halina; Fam, Tkhe Kyong; Vandamme, Thierry; Klymchenko, Andrey S.; Collot, Mayeul
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	14
Pages of publication	13079 - 13090
a	18.5315 ± 0.0014 Å
b	11.0275 ± 0.0007 Å
c	17.8799 ± 0.0015 Å
α	90°
β	93.856 ± 0.005°
γ	90°
Cell volume	3645.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2047
Residual factor for significantly intense reflections	0.1278
Weighted residual factors for significantly intense reflections	0.3441
Weighted residual factors for all reflections included in the refinement	0.4023
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219714 (current)	2019-10-28	cif/ Adding structures of 4514529 via cif-deposit CGI script.	4514529.cif