Information card for entry 4022194

Structure parameters

• Formula: C13 H20 N4 O8
• Calculated formula: C13 H18 N4 O8
• Title of publication: Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue
• Authors of publication: Stephen Hanessian; Dougal J. Ritson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 9807 - 9817
• a: 10.3388 ± 0.0014 Å
• b: 5.1216 ± 0.0014 Å
• c: 15.23 ± 0.004 Å
• α: 90°
• β: 94.85 ± 0.02°
• γ: 90°
• Cell volume: 803.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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 all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No