Information card for entry 7159164

Structure parameters

• Common name: Borbasa ERJ750
• Formula: C27 H30 N8 O2
• Calculated formula: C27 H30 N8 O2
• SMILES: [C@@H]1([C@@H]2N(C[C@@H]3CN([C@H]([C@@H](CO)O1)N23)Cc1ccccc1)Cc1ccccc1)n1c2c(c(ncn2)N)nc1
• Title of publication: Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.
• Authors of publication: Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2213 - 2219
• a: 7.2246 ± 0.0003 Å
• b: 14.0455 ± 0.0007 Å
• c: 24.2928 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2465.1 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No