Crystallography Open Database

Information card for entry 7151959

7151958 << 7151959 >> 7151960

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Coordinates	7151959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H17 Cl4 N5 Zn
Calculated formula	C9 H17 Cl4 N5 Zn
SMILES	[Zn](Cl)(Cl)([Cl-])[Cl-].[nH]1c[nH+]c(c1C1=[NH+]CCC(N1)(C)C)N
Title of publication	Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.
Authors of publication	Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	16
Pages of publication	5703 - 5713
a	7.8356 ± 0.0004 Å
b	13.1475 ± 0.0006 Å
c	15.8482 ± 0.0009 Å
α	76.546 ± 0.004°
β	84.994 ± 0.004°
γ	81.751 ± 0.004°
Cell volume	1568.96 ± 0.14 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	0.0432
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7151959.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151959.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151959.cif
23757	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7151955, 7151956, 7151957, 7151958, 7151959 via cif-deposit CGI script.	7151959.cif