Crystallography Open Database

Information card for entry 7053735

Preview

Coordinates	7053735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H110 N2 O12
Calculated formula	C78 H104 N2 O12
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	13.17 ± 0.001 Å
b	19.498 ± 0.002 Å
c	14.88 ± 0.002 Å
α	90°
β	107.687 ± 0.002°
γ	90°
Cell volume	3640.4 ± 0.7 Å³
Cell temperature	180.2 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	0.0896
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for all reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.674
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053735.cif
96595	2014-01-29	cif/ Adding structures of 7053734, 7053735 via cif-deposit CGI script.	7053735.cif