Information card for entry 7160395

Structure parameters

• Formula: C16 H26 O2
• Calculated formula: C16 H26 O2
• Title of publication: Total synthesis of (±)-halichonine B.
• Authors of publication: Yoshimura, Fumihiko; Uchida, Masaya; Aratame, Kaori; Ouchi, Hitoshi; Inai, Makoto; Kondo, Mitsuru; Takita, Ryo; Kan, Toshiyuki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 13
• Pages of publication: 3076 - 3080
• a: 6.1426 ± 0.0001 Å
• b: 9.4202 ± 0.0003 Å
• c: 13.5004 ± 0.0004 Å
• α: 110.304 ± 0.003°
• β: 90.564 ± 0.002°
• γ: 98.95 ± 0.002°
• Cell volume: 722.01 ± 0.04 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No