Information card for entry 2001587

Structure parameters

• Formula: C16 H21 N3 O6
• Calculated formula: C16 H17 N3 O7
• SMILES: O=C(c1ccccc1)Nc1ccn(c(=O)n1)[C@H]1CC[C@H](O1)C(=O)O.O.O
• Title of publication: Structure of a dideoxynucleoside active against the HIV (AIDS) virus
• Authors of publication: Gulbis, J. M.; Mackay, M. F.; Holan, G.; Marcuccio, S. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1095 - 1097
• a: 4.691 ± 0.001 Å
• b: 14.448 ± 0.002 Å
• c: 12.924 ± 0.003 Å
• α: 90°
• β: 97.63 ± 0.01°
• γ: 90°
• Cell volume: 868.2 ± 0.3 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No