Crystallography Open Database

Information card for entry 7054097

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Coordinates	7054097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H42 N2 O12
Calculated formula	C39 H42 N2 O12
Title of publication	Synthesis, characterization of the amido-conjugates of 1,1′-methylene-bis(2-naphthol) and recognition of Cu2+ in aqueous acetonitrile
Authors of publication	Baghel, Garima Singh; Chinta, Jugun Prakash; Rao, Chebrolu P.
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	11
Pages of publication	2397
a	5.2025 ± 0.0003 Å
b	17.5718 ± 0.0014 Å
c	20.0241 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1830.5 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 2 21 21
Hall space group symbol	P 2bc 2
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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