Information card for entry 1513451

Structure parameters

• Formula: C18 H15 N O7
• Calculated formula: C18 H15 N O7
• SMILES: CCOCOc1ccc2c3c1C1=C(Oc3cc(n2)C(=O)OC)C(=O)OC1
• Title of publication: Total synthesis of (±)-distomadines a and B.
• Authors of publication: Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1064 - 1067
• a: 30.1051 ± 0.0006 Å
• b: 30.0687 ± 0.0006 Å
• c: 7.05381 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6385.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No