Information card for entry 7103190

Structure parameters

• Formula: C23 H26 O2
• Calculated formula: C23 H26 O2
• SMILES: c1(cccc2c1cccc2)/C=C\C1=C(CC2(C1)COC(OC2)(C)C)C
• Title of publication: Rh(II)-catalyzed skeletal reorganization of enynes involving selective cleavage of C-C triple bonds.
• Authors of publication: Ota, Kazusa; Chatani, Naoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 2906 - 2907
• a: 11.0122 ± 0.0008 Å
• b: 42.512 ± 0.003 Å
• c: 16.7649 ± 0.0012 Å
• α: 90°
• β: 101.821 ± 0.003°
• γ: 90°
• Cell volume: 7682.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.4235
• Residual factor for significantly intense reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.2547
• Weighted residual factors for all reflections included in the refinement: 0.4242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No