Information card for entry 7151096

Structure parameters

• Formula: C13 H16 N6 O
• Calculated formula: C13 H16 N6 O
• SMILES: [C@H]1(C=C[C@H](O)C1)n1cnc2c(nc(N)nc12)NC1CC1.[C@@H]1(C=C[C@@H](O)C1)n1cnc2c(nc(N)nc12)NC1CC1
• Title of publication: Syntheses and anti-HIV activities of (+/-)-norcarbovir and (+/-)-norabacavir.
• Authors of publication: Huang, Weiqiang; Miller, Marvin J.; De Clercq, Erik; Balzarini, Jan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1164 - 1166
• a: 5.7926 ± 0.0003 Å
• b: 10.0685 ± 0.0006 Å
• c: 12.2947 ± 0.0007 Å
• α: 65.873 ± 0.001°
• β: 76.452 ± 0.001°
• γ: 85.507 ± 0.001°
• Cell volume: 636.09 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No