Information card for entry 4507427

Structure parameters

• Common name: syn-1-Hydroxy-9-thia-23-oxa-7,13-diaza- hexacyclo[12.7.1.12,5.05,13.07,11.018,22]trieicos- 3,14,16,18(22)-tetraene-6,12-dione
• Chemical name: compound 10f
• Formula: C19 H18 N2 O4 S
• Calculated formula: C18.993 H18 N2 O4 S
• 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: 8.8621 ± 0.0004 Å
• b: 9.5987 ± 0.0004 Å
• c: 20.0726 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1707.47 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No