Crystallography Open Database

Information card for entry 4023574

Preview

Coordinates	4023574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 O8
Calculated formula	C28 H32 O8
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	9.1893 ± 0.0009 Å
b	10.821 ± 0.001 Å
c	14.446 ± 0.001 Å
α	71.677 ± 0.003°
β	84.771 ± 0.003°
γ	67.218 ± 0.003°
Cell volume	1256.49 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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