Information card for entry 2000102

Structure parameters

• Formula: C13 H14 N2 O5
• Calculated formula: C13 H14 N2 O5
• Title of publication: Crystal structure of 7-nitro-1(2'-deoxy-β-D-ribofuranosyl)-indole, C~13~H~14~N~2~O~5~
• Authors of publication: Averbuch-Pouchot, M.-T.; Bourdat, A.-G.; Defrancq, E.; Durif, A.; Kotera, M.; Lhomme, J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1998
• Journal volume: 213
• Journal issue: 1-4
• Pages of publication: 181 - 182
• a: 12.897 ± 0.004 Å
• b: 4.748 ± 0.001 Å
• c: 12.888 ± 0.004 Å
• α: 90°
• β: 126.7 ± 0.2°
• γ: 90°
• Cell volume: 632.758 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
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0302
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No