Crystallography Open Database

Information card for entry 7160703

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Coordinates	7160703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N O2
Calculated formula	C22 H27 N O2
Title of publication	Unlocking iminodioxocines and amine-bis(phenols) <i>via</i> sterically guided ammonia condensation: a shortcut to tunable ONO pincer ligands.
Authors of publication	Strunin, Daniil; Pak, Alexandra; Khakina, Ekaterina; Solov'eva, Svetlana; Nelyubina, Yulia; Nikovskiy, Igor
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	36
Pages of publication	8332 - 8340
a	9.629 ± 0.005 Å
b	9.551 ± 0.005 Å
c	19.91 ± 0.011 Å
α	90°
β	91.357 ± 0.006°
γ	90°
Cell volume	1830.5 ± 1.7 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
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	0.0961
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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