Information card for entry 2014184

Structure parameters

• Formula: C11 H12 N6 O4
• Calculated formula: C11 H12 N6 O4
• SMILES: n12nnc3c(c1ncc2)cnn3[C@H]1[C@H](O)[C@H](O)[C@H](O1)CO
• Title of publication: 1,<i>N</i>^6^-Etheno derivative of 7-deaza-2,8-diazaadenosine
• Authors of publication: Lin, Wenqing; Seela, Frank; Eickmeier, Henning; Reuter, Hans
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o566 - o568
• a: 6.8229 ± 0.0005 Å
• b: 8.9565 ± 0.0011 Å
• c: 20.31 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1241.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes