Crystallography Open Database

Information card for entry 1550738

Preview

Coordinates	1550738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H26 N13 O5
Calculated formula	C41 H26 N13 O5
Title of publication	Synthesis and photophysical properties of pyridyl conjugated triazole appended naphthalenediimide derivatives.
Authors of publication	Kumar, Girijesh; Guda, Ramu; Husain, Ahmad; Patra, Ranjan; Kirandeep, ?; Kasula, Mamatha
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2019
Journal volume	18
Journal issue	6
Pages of publication	1333 - 1341
a	12.53 ± 0.0007 Å
b	13.3747 ± 0.0007 Å
c	13.8179 ± 0.0008 Å
α	62.734 ± 0.002°
β	68.276 ± 0.002°
γ	76.955 ± 0.002°
Cell volume	1907.76 ± 0.19 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.15 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	0.1642
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.2369
Weighted residual factors for all reflections included in the refinement	0.2692
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
225322 (current)	2019-11-08	cif/ Updating files of 1550738 Original log message: Adding full bibliography for 1550738.cif.	1550738.cif
214083	2019-03-12	cif/ Adding structures of 1550738 via cif-deposit CGI script.	1550738.cif