Information card for entry 4116709

Structure parameters

• Common name: (S) methano-carba-AZT
• Formula: C12 H15 N5 O3
• Calculated formula: C12 H15 N5 O3
• SMILES: N1(C(=O)NC(=O)C(=C1)C)[C@@]12C[C@@H]([C@@H](CO)[C@@H]1C2)N=N#N
• Title of publication: HIV-1 Reverse Transcriptase Can Discriminate between Two Conformationally Locked Carbocyclic AZT Triphosphate Analogues
• Authors of publication: Victor E. Marquez; Abdallah Ezzitouni; Pamela Russ; Maqbool A. Siddiqui; Harry Ford; Ron J. Feldman; Hiroaki Mitsuya; Clifford George; Joseph J. Barchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 2780 - 2789
• a: 17.552 ± 0.003 Å
• b: 22.661 ± 0.006 Å
• c: 6.67 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2653 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1462
• Weighted residual factors for significantly intense reflections: 0.1253
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No