Information card for entry 1504874

Structure parameters

• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O[C@@H]1CC[C@]23[C@H]4OC(O[C@H]4[C@H](C=C2)C[C@@H]3C1)(C)C
• Title of publication: A formal total synthesis of platencin.
• Authors of publication: Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4465 - 4468
• a: 6.2293 ± 0.0001 Å
• b: 16.5761 ± 0.0003 Å
• c: 6.7802 ± 0.0001 Å
• α: 90°
• β: 107.302 ± 0.0011°
• γ: 90°
• Cell volume: 668.428 ± 0.019 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0331
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No