Information card for entry 4507422

Structure parameters

• Common name: compound 5a
• Chemical name: anti-12-Hydroxy-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione
• Formula: C16 H14 N2 O5
• Calculated formula: C16 H14 N2 O5
• SMILES: [C@@H]1([C@H]2C=C[C@@]3(N(c4ccccc14)C(=O)[C@H]1COCN1C3=O)O2)O
• 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: 5.373 ± 0.0009 Å
• b: 9.8442 ± 0.0016 Å
• c: 13.799 ± 0.002 Å
• α: 72.286 ± 0.008°
• β: 89.897 ± 0.008°
• γ: 89.973 ± 0.008°
• Cell volume: 695.26 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.604
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No