Information card for entry 2004190

Structure parameters

• Formula: C19 H22 Cl N5 O4
• Calculated formula: C19 H22 Cl N5 O4
• SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N[C@@H](Cc1ccccc1)C
• Title of publication: <i>N</i>-[1-Phenyl-2(<i>R</i>)-propyl]-2-chloroadenosine. An Activating Agent of the Adenosine A2 Receptor
• Authors of publication: Das, A. K.; Bertolasi, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2408 - 2409
• a: 11.346 ± 0.002 Å
• b: 12.305 ± 0.001 Å
• c: 14.327 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2000.2 ± 0.4 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0452
• Goodness-of-fit parameter for significantly intense reflections: 0.57
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No