Crystallography Open Database

Information card for entry 7113020

Preview

Coordinates	7113020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H166 N16 O12 S
Calculated formula	C74 H166 N16 O12 S
Title of publication	Tripodal transmembrane transporters for bicarbonate.
Authors of publication	Busschaert, Nathalie; Gale, Philip A.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell, Jr, William A
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	34
Pages of publication	6252 - 6254
a	13.3171 ± 0.0004 Å
b	14.151 ± 0.0006 Å
c	24.6875 ± 0.001 Å
α	90.1722 ± 0.0016°
β	103.847 ± 0.003°
γ	90.899 ± 0.002°
Cell volume	4516.5 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1687
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113020.cif
112208	2014-04-30	cif/ Adding structures of 7113019, 7113020 via cif-deposit CGI script.	7113020.cif