Information card for entry 2015018

Structure parameters

• Common name: pIsodApC
• Chemical name: 4-amino-1-(6-O-{[2-(6-aminopurin-9-yl)-6-O-hydroxy(oxido)phosphoryl-1,2,5- trideoxy-3-furanosyl]oxidophosphoryl}-1,5-dideoxy-1-furanosyl)pyrimidin- 2(1H)-one 6.5 hydrate
• Formula: C19 H39 N8 O19.5 P2
• Calculated formula: C19 H39 N8 O19.5 P2
• Title of publication: A non-natural dinucleotide containing an isomeric <small>L</small>-related deoxynucleoside: dinucleotide inhibitors of anti-HIV integrase activity
• Authors of publication: M. Gary Newton; Charles F. Campana; Guo-Chen Chi; Doowon Lee; Zhi-Jie Liu; Vasu Nair; James Phillips; John P. Rose; B.-C. Wang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o518 - o520
• a: 12.566 ± 0.005 Å
• b: 12.566 ± 0.005 Å
• c: 38.708 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6112 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes