Information card for entry 1503315

Structure parameters

• Formula: C23 H35 O9
• Calculated formula: C23 H28 O9
• Title of publication: A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones.
• Authors of publication: Afarinkia, Kamyar; Haji Abdullahi, Mohamed; Scowen, Ian J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 5564 - 5566
• a: 13.019 ± 0.0003 Å
• b: 8.5252 ± 0.0002 Å
• c: 21.5504 ± 0.0006 Å
• α: 90°
• β: 101.807 ± 0.001°
• γ: 90°
• Cell volume: 2341.26 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No