Crystallography Open Database

Information card for entry 1549025

Preview

Coordinates	1549025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N4 O3
Calculated formula	C32 H40 N4 O3
SMILES	N1(CCCC1)CCN1C2(c3c(Oc4cc(NCC)c(cc24)C)cc(NCC)c(c3)C)c2ccccc2C1=O.O
Title of publication	A turn-on fluorogenic chemosensor for Fe<sup>3+</sup> and a Schottky barrier diode with frequency-switching device applications.
Authors of publication	Molla, Habib Ali; Bhowmick, Rahul; Islam, Abu Saleh Musha; Show, Bibhutibhushan; Mukherjee, Nillohit; Mondal, Anup; Ali, Mahammad
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	4
Pages of publication	465 - 473
a	10.3648 ± 0.0015 Å
b	11.5481 ± 0.0017 Å
c	12.5472 ± 0.0019 Å
α	81.87 ± 0.005°
β	77.716 ± 0.005°
γ	87.248 ± 0.005°
Cell volume	1452.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1314
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.2057
Weighted residual factors for all reflections included in the refinement	0.2819
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
230893 (current)	2019-11-17	cif/ Updating files of 1549025 Original log message: Adding full bibliography for 1549025.cif.	1549025.cif
206785	2018-03-06	cif/ Adding structures of 1549025 via cif-deposit CGI script.	1549025.cif