Crystallography Open Database

Information card for entry 1515275

Preview

Coordinates	1515275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H21 N9 O6
Calculated formula	C14 H21 N9 O6
Title of publication	Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants
Authors of publication	Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	1
Pages of publication	249
a	15.8942 ± 0.0005 Å
b	16.2322 ± 0.0005 Å
c	17.6688 ± 0.0006 Å
α	89.748 ± 0.001°
β	72.741 ± 0.002°
γ	63.537 ± 0.001°
Cell volume	3853.3 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515275.cif
110926	2014-04-20	cif/ Adding structures of 1515275, 1515276, 1515277, 1515278 via cif-deposit CGI script.	1515275.cif