Crystallography Open Database

Information card for entry 7053734

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Coordinates	7053734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H79 N O4
Calculated formula	C70 H69 N O4
Title of publication	Graftable chiral ligands for surface organometallic materials: calixarenes bearing asymmetric centers directly attached to the lower rim
Authors of publication	Solovyov, Andrew; Notestein, Justin M.; Durkin, Kathleen A.; Katz, Alexander
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	8
Pages of publication	1314
a	12.305 ± 0.001 Å
b	12.911 ± 0.001 Å
c	19.409 ± 0.002 Å
α	90°
β	105.578 ± 0.002°
γ	90°
Cell volume	2970.2 ± 0.5 Å³
Cell temperature	163.2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for all reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	3.182
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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