Crystallography Open Database

Information card for entry 7052128

Preview

Coordinates	7052128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H147.5 N9.5 O25 S8
Calculated formula	C142 H147.5 N9.5 O25 S8
Title of publication	Dansylated resorcinarenes
Authors of publication	Ngong Kodiah Beyeh; Jukka Aumanen; Antti Åhman; Minna Luostarinen; Heidi Mansikkamäki; Maija Nissinen; Jouko Korppi-Tommola; Kari Rissanen
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	3
Pages of publication	370
a	29.3447 ± 0.0009 Å
b	22.6903 ± 0.0005 Å
c	22.2725 ± 0.0007 Å
α	90°
β	109.033 ± 0.001°
γ	90°
Cell volume	14019.2 ± 0.7 Å³
Cell temperature	173 ± 0.2 K
Ambient diffraction temperature	173 ± 0.2 K
Number of distinct elements	5
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	0.22
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.2217
Weighted residual factors for all reflections included in the refinement	0.2794
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7052128.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052128.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052128.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7052128.cif