Information card for entry 7150287

Structure parameters

• Formula: C10 H9 N O4
• Calculated formula: C10 H9 N O4
• SMILES: O=N(=O)c1c(cccc1)/C(=C\C)C(=O)O
• Title of publication: The diazo route to diazonamide A: studies on the tyrosine-derived fragment.
• Authors of publication: Palmer, Francine N.; Lach, Franck; Poriel, Cyril; Pepper, Adrian G.; Bagley, Mark C.; Slawin, Alexandra M. Z.; Moody, Christopher J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 20
• Pages of publication: 3805 - 3811
• a: 10.244 ± 0.002 Å
• b: 13.92 ± 0.003 Å
• c: 13.155 ± 0.003 Å
• α: 90°
• β: 92.4243 ± 0.0017°
• γ: 90°
• Cell volume: 1874.2 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No