Crystallography Open Database

Information card for entry 1558383

Preview

Coordinates	1558383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 N2 O2 S
Calculated formula	C27 H20 N2 O2 S
SMILES	S1c2c(N(c3ccc4C(=O)N(C(C)C)C(=O)c5c4c3ccc5)c3ccccc13)cccc2
Title of publication	Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.
Authors of publication	Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy
Journal of publication	The journal of physical chemistry. B
Year of publication	2020
Journal volume	124
Journal issue	26
Pages of publication	5393 - 5406
a	12.3819 ± 0.0014 Å
b	12.8413 ± 0.0014 Å
c	14.0834 ± 0.0016 Å
α	86.212 ± 0.004°
β	84.496 ± 0.004°
γ	72.066 ± 0.003°
Cell volume	2119.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1238
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2942
Weighted residual factors for all reflections included in the refinement	0.3128
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
273808 (current)	2022-03-18	cif/1: Fixing Z values and formulae	1558383.cif
253749	2020-07-04	cif/ Updating files of 1558383, 1558384, 1558385, 1558386, 1558387 Original log message: Adding full bibliography for 1558383--1558387.cif.	1558383.cif
253335	2020-06-23	cif/ Adding structures of 1558383, 1558384, 1558385, 1558386, 1558387 via cif-deposit CGI script.	1558383.cif