Information card for entry 4035347

Structure parameters

• Formula: C34 H36 O2
• Calculated formula: C34 H36 O2
• SMILES: Oc1c(cc(cc1C(C)(C)C)C(C(=C)C(=O)c1ccccc1)c1cccc2c1cccc2)C(C)(C)C
• Title of publication: Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.
• Authors of publication: Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 9353 - 9363
• a: 5.9965 ± 0.0002 Å
• b: 35.6863 ± 0.0012 Å
• c: 12.4237 ± 0.0004 Å
• α: 90°
• β: 101.068 ± 0.001°
• γ: 90°
• Cell volume: 2609.13 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No