Information card for entry 4507425

Structure parameters

• Common name: Compound 10b
• Chemical name: syn-1-Hydroxy-10-methyl-9,23-dioxa-7,13-diazahexacyclo [12.7.1.1.0^5,13^.0^7,11^.0^18,22^]trieicos-3,14,16,18(22)-tetraene-6,12-dione
• Formula: C20 H20 N2 O5
• Calculated formula: C20 H20 N2 O5
• SMILES: O1[C@H]2[C@]3(O)CCCc4cccc(N5[C@]1(C(=O)N1CO[C@H]([C@@H]1C5=O)C)C=C2)c34
• 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: 8.4613 ± 0.0001 Å
• b: 11.7986 ± 0.0002 Å
• c: 17.321 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1729.18 ± 0.05 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: 0.0268
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No