Crystallography Open Database

Information card for entry 4034315

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Coordinates	4034315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H90 Cd6 Cl12 N18 O9
Calculated formula	C75 H84 Cd6 Cl12 N18 O9
Title of publication	Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.
Authors of publication	Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	9
Pages of publication	5695 - 5711
a	22.199 ± 0.006 Å
b	22.199 ± 0.006 Å
c	18.664 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	7965 ± 4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1898
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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