Crystallography Open Database

Information card for entry 7151955

7151954 << 7151955 >> 7151956

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Coordinates	7151955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cl3 N5 O Zn
Calculated formula	C10 H16 Cl3 N5 O Zn
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	11.4767 ± 0.0003 Å
b	9.9382 ± 0.0003 Å
c	14.0372 ± 0.0005 Å
α	90°
β	92.646 ± 0.003°
γ	90°
Cell volume	1599.34 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.591
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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