Information card for entry 7105053

Structure parameters

• Formula: C36 H36 O2
• Calculated formula: C36 H36 O2
• Title of publication: Unusual regiodivergence in metal-catalysed intramolecular cyclisation of gamma-allenols.
• Authors of publication: Arbour, Jannine L; Rzepa, Henry S; White, Andrew J P; Hii, King Kuok Mimi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 7125 - 7127
• a: 6.3771 ± 0.0003 Å
• b: 19.8345 ± 0.0008 Å
• c: 23.2868 ± 0.0012 Å
• α: 90°
• β: 97.321 ± 0.004°
• γ: 90°
• Cell volume: 2921.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No