Information card for entry 1506684

Structure parameters

• Formula: C25 H46 O5
• Calculated formula: C25 H46 O5
• SMILES: O=C1O[C@@H](CC1)[C@@H]1O[C@H](CC1)[C@@H](OCOC)CCCCCCCCCCCCCC
• Title of publication: Total synthesis and structural confirmation of (+)-longicin.
• Authors of publication: Hanessian, Stephen; Giroux, Simon; Buffat, Maxime
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 3989 - 3992
• a: 5.764 ± 0.002 Å
• b: 7.575 ± 0.002 Å
• c: 29.802 ± 0.01 Å
• α: 90°
• β: 90.45 ± 0.03°
• γ: 90°
• Cell volume: 1301.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No