Crystallography Open Database

Information card for entry 4023576

Preview

Coordinates	4023576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H66 Cl6 O16
Calculated formula	C58 H66 Cl6 O16
Title of publication	New [4.4]Cyclophanes: Molecular Parallelograms, Triangles, Rhombuses, Pentagons, and Supramolecular Constructions
Authors of publication	Niculina Bogdan; Eric Condamine; Loïc Toupet; Yvan Ramondenc; Elena Bogdan; Ion Grosu
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	5831 - 5838
a	11.3654 ± 0.0006 Å
b	15.5616 ± 0.0009 Å
c	19.293 ± 0.001 Å
α	111.848 ± 0.005°
β	91.947 ± 0.004°
γ	106.882 ± 0.004°
Cell volume	2991.6 ± 0.3 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1588
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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