Crystallography Open Database

Information card for entry 4507628

Preview

Coordinates	4507628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H92 N8 O16
Calculated formula	C92 H92 N8 O16
Title of publication	Tubular Arrangement of 1,3-Alternate Calix[4]arene with Bipyridines: A Platform for [2 + 2] Photocyclization
Authors of publication	Lee, Eunji; Ju, Huiyeong; Lee, Shim Sung; Park, Ki-Min
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	992
a	28.378 ± 0.009 Å
b	15.978 ± 0.005 Å
c	21.376 ± 0.012 Å
α	90°
β	123.391 ± 0.014°
γ	90°
Cell volume	8093 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179612 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/76.	4507628.cif
85595	2013-05-07	cif/ Adding structures of 4507628, 4507629 via cif-deposit CGI script.	4507628.cif