Information card for entry 7151956

Structure parameters

• Formula: C20 H28 Cl8 N10 Zn3
• Calculated formula: C20 H28 Cl8 N10 Zn3
• 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: 8.3518 ± 0.0003 Å
• b: 10.0642 ± 0.0005 Å
• c: 21.5006 ± 0.001 Å
• α: 96.082 ± 0.004°
• β: 94.259 ± 0.004°
• γ: 112.541 ± 0.004°
• Cell volume: 1646.72 ± 0.14 ų
• 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: 0.0223
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No