Crystallography Open Database

Information card for entry 1549866

Preview

Coordinates	1549866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H35 N O3
Calculated formula	C25 H35 N O3
SMILES	[O-]c1c(/C=[NH+]/c2cc(O)ccc2)ccc(OCCCCCCCCCCCC)c1
Title of publication	Origin of green photoluminescence in four-ring bent-core molecules with ESIPT, selective sensing of zinc ions by turn-on emission and their liquid crystal properties.
Authors of publication	Gude, Venkatesh; Rout, Duttanjali; Panigrahi, Mruganka Kumar; Biradha, Kumar
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2018
Journal volume	17
Journal issue	10
Pages of publication	1386 - 1395
a	6.74 ± 0.002 Å
b	11.686 ± 0.004 Å
c	15.408 ± 0.005 Å
α	80.71 ± 0.02°
β	80.08 ± 0.02°
γ	74.51 ± 0.02°
Cell volume	1143.5 ± 0.7 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3784
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.2393
Goodness-of-fit parameter for all reflections included in the refinement	0.755
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
230885 (current)	2019-11-17	cif/ Updating files of 1549866, 1549867 Original log message: Adding full bibliography for 1549866--1549867.cif.	1549866.cif
210286	2018-09-01	cif/ Adding structures of 1549866, 1549867 via cif-deposit CGI script.	1549866.cif