Information card for entry 4507424

Structure parameters

• Common name: Compound 8b
• Chemical name: anti-1-Hydroxy-5,10-dioxa-8,14-diaza-11-methyl- hexacyclo[13.6.1.0^2,6^.0^6,14^.0^8,12^.0^19,22^]doeicos- 3,15,17,19(22)-tetraene-7,13-dione
• Formula: C19 H17 N2 O5
• Calculated formula: C19 H18 N2 O5
• SMILES: O[C@]12[C@H]3[C@]4(OC=C3)N(C(=O)[C@H]3[C@@H](OCN3C4=O)C)c3c2c(CC1)ccc3
• Title of publication: Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
• Authors of publication: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
• Journal of publication: ACS Combinatorial Science
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 73
• a: 8.9205 ± 0.0002 Å
• b: 12.2652 ± 0.0003 Å
• c: 15.6666 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1714.11 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No