Crystallography Open Database

Information card for entry 7060228

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Coordinates	7060228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H33 N5 O9 S2
Calculated formula	C39 H27 N5 O8 S
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	7.4343 ± 0.0005 Å
b	30.238 ± 0.002 Å
c	16.0736 ± 0.0011 Å
α	90°
β	98.342 ± 0.002°
γ	90°
Cell volume	3575.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.0916
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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