Crystallography Open Database

Information card for entry 7057267

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Coordinates	7057267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 N4 O4
Calculated formula	C31 H32 N4 O4
Title of publication	ESIPT-capable 2,6-di(1H-imidazol-2-yl)phenols with very strong fluorescent sensing signals towards Cr(iii), Zn(ii), and Cd(ii): molecular variation effects on turn-on efficiency
Authors of publication	Eseola, Abiodun O.; Görls, Helmar; Bangesh, Masroor; Plass, Winfried
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	7884
a	11.7841 ± 0.0002 Å
b	11.7123 ± 0.0002 Å
c	20.2881 ± 0.0004 Å
α	90°
β	104.441 ± 0.001°
γ	90°
Cell volume	2711.67 ± 0.09 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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