Information card for entry 1504221

Structure parameters

• Formula: C29 H22 O2
• Calculated formula: C29 H22 O2
• SMILES: CC1=C2C(=C(C(=O)C2(c2ccccc2)c2ccccc2)c2ccccc2)C=C(C1=O)C
• Title of publication: Ytterbium(III) triflate catalyzed tandem Friedel-Crafts alkylation/hydroarylation of propargylic alcohols with phenols as an expedient route to indenols.
• Authors of publication: Zhang, Xiaoxiang; Teo, Wan Teng; Chan, Philip Wai Hong
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4990 - 4993
• a: 25.5017 ± 0.0011 Å
• b: 10.0101 ± 0.0004 Å
• c: 18.5411 ± 0.0009 Å
• α: 90°
• β: 118.749 ± 0.003°
• γ: 90°
• Cell volume: 4149.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No