Crystallography Open Database

Information card for entry 7231290

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Coordinates	7231290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.4 H48.4 Cl1.2 N6 O3
Calculated formula	C42.4 H48.4 Cl1.2 N6 O3
Title of publication	Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines
Authors of publication	Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	35
Pages of publication	5200
a	9.8047 ± 0.0001 Å
b	43.1344 ± 0.0004 Å
c	19.4077 ± 0.0002 Å
α	90°
β	92.935 ± 0.001°
γ	90°
Cell volume	8197.14 ± 0.14 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
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	0.0586
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1475
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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