Crystallography Open Database

Information card for entry 7060229

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Coordinates	7060229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 N5 O8
Calculated formula	C27 H19 N5 O8
Title of publication	Phenanthroimidazole derivatives as a chemosensor for picric acid: a first realistic approach
Authors of publication	Ahmed, Ruby; Ali, Abid; Ahmad, Musheer; Alsalme, Ali; Khan, Rais Ahmad; Ali, Farman
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	46
Pages of publication	20092 - 20100
a	7.155 ± 0.0007 Å
b	13.5698 ± 0.0012 Å
c	13.6958 ± 0.0013 Å
α	115.283 ± 0.003°
β	100.531 ± 0.003°
γ	94.796 ± 0.003°
Cell volume	1162.41 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0885
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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