Crystallography Open Database

Information card for entry 7059194

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Coordinates	7059194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H55 N6 O5
Calculated formula	C86 H55 N6 O5
Title of publication	A simple D‒π‒A system of phenanthroimidazole-π-fluorenone for highly efficient non-doped bipolar AIE luminogens: synthesis, and molecular optical, thermal and electrochemical properties
Authors of publication	Kathirvelan, Devarajan; Mayakrishnan, Sivakalai; Uma Maheswari, Narayanan; Biswas, Chinmoy; Raavi, Sai Santosh Kumar; Panda, Tarun K.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	5
Pages of publication	1785 - 1794
a	8.5508 ± 0.0007 Å
b	20.552 ± 0.0017 Å
c	20.7183 ± 0.0018 Å
α	67.182 ± 0.008°
β	82.78 ± 0.007°
γ	78.538 ± 0.007°
Cell volume	3284.3 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.2669
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2211
Weighted residual factors for all reflections included in the refinement	0.3292
Goodness-of-fit parameter for all reflections included in the refinement	1.0537
Diffraction radiation probe	x-ray
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
257712 (current)	2020-10-06	cif/ Updating files of 7059194 Original log message: Adding full bibliography for 7059194.cif.	7059194.cif
247780	2020-02-04	cif/ Updating files of 7059194 Original log message: Adding full bibliography for 7059194.cif.	7059194.cif
246428	2020-01-02	cif/ Adding structures of 7059194 via cif-deposit CGI script.	7059194.cif