Crystallography Open Database

Information card for entry 7231288

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Coordinates	7231288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H56 Cl6 N6 O6
Calculated formula	C68 H56 Cl6 N6 O6
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	6.0032 ± 0.0001 Å
b	30.9388 ± 0.0003 Å
c	33.6555 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6250.9 ± 0.13 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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