Crystallography Open Database

Information card for entry 7160705

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Coordinates	7160705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H63 N O2
Calculated formula	C38 H63 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	10.6175 ± 0.001 Å
b	18.7821 ± 0.0017 Å
c	18.3618 ± 0.0017 Å
α	90°
β	95.845 ± 0.002°
γ	90°
Cell volume	3642.7 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0958
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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