Information card for entry 1513453

Structure parameters

• Formula: C26 H25 N O7
• Calculated formula: C26 H25 N O7
• SMILES: n1ccc2c3c(c(ccc13)OCOCC)C1=C(O2)C(=O)OC1CCOCOCc1ccccc1
• 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: 7.8031 ± 0.0004 Å
• b: 9.1491 ± 0.0005 Å
• c: 16.0757 ± 0.0007 Å
• α: 77.259 ± 0.004°
• β: 83.756 ± 0.004°
• γ: 78.585 ± 0.005°
• Cell volume: 1094.72 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No