Information card for entry 7159478

Structure parameters

• Formula: C26 H38 O
• Calculated formula: C26 H37 O
• SMILES: Oc1cc2[C@@]3(CC[C@@H]4[C@@]5([C@H](C(C)(CCC5)C)CC[C@@]4(C)[C@@H]3Cc2cc1)C)C
• Title of publication: Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.
• Authors of publication: Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 6129 - 6133
• a: 49.6825 ± 0.0009 Å
• b: 6.41808 ± 0.00012 Å
• c: 13.263 ± 0.0002 Å
• α: 90°
• β: 95.324 ± 0.007°
• γ: 90°
• Cell volume: 4210.88 ± 0.14 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2112
• Weighted residual factors for all reflections included in the refinement: 0.2313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No