Information card for entry 1511963

Structure parameters

• Common name: Prevezol C <b>2</b>
• Formula: C20 H33 Br O3
• Calculated formula: C20 H33 Br O3
• SMILES: Br[C@@H]1[C@](O)(CC[C@@H](C1)C(=C)C[C@H]1[C@@H](O)[C@](O)(CC[C@@H]1C(=C)C)C)C
• Title of publication: Synthesis of the Proposed Structures of Prevezol C
• Authors of publication: Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2198
• a: 8.9991 ± 0.0002 Å
• b: 10.9067 ± 0.0003 Å
• c: 10.2688 ± 0.0002 Å
• α: 90°
• β: 100.666 ± 0.002°
• γ: 90°
• Cell volume: 990.47 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No