Information card for entry 7151160

Structure parameters

• Common name: 8-((1'',10'''-phenantroline-2''-yl)phenyl)-2'-deoxyadenosine
• Chemical name: 8-[(1'',10'''-phenantroline-2''-yl]phenyl]-2'-deoxyadenosine
• Formula: C28 H23 N7 O3
• Calculated formula: C28 H22.5 N7 O3
• SMILES: OC[C@H]1O[C@@H](n2c3ncnc(N)c3nc2c2ccc(cc2)c2nc3c(cc2)ccc2cccnc32)C[C@@H]1O
• Title of publication: Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.
• Authors of publication: Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 17
• Pages of publication: 2849 - 2857
• a: 10.79 ± 0.004 Å
• b: 10.8 ± 0.003 Å
• c: 13.163 ± 0.004 Å
• α: 96.79 ± 0.03°
• β: 106 ± 0.03°
• γ: 105.9 ± 0.03°
• Cell volume: 1386.6 ± 0.9 ų
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No