Information card for entry 1502250

Structure parameters

• Common name: Stambuli1810
• Formula: C13 H26 O5
• Calculated formula: C13 H26 O5
• SMILES: C1(C)(C)OC[C@H]([C@@H]([C@H](C[C@H](CCO)C)OC)O1)O
• Title of publication: Synthesis of key fragments of leiodelide A.
• Authors of publication: Chellat, Mathieu F.; Proust, Nicolas; Lauer, Matthew G.; Stambuli, James P.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3246 - 3249
• a: 8.9146 ± 0.0001 Å
• b: 8.5388 ± 0.0002 Å
• c: 10.1252 ± 0.0002 Å
• α: 90°
• β: 106.47 ± 0.001°
• γ: 90°
• Cell volume: 739.11 ± 0.02 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No